data_2lvg_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 2lvg _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.524 0 N-CA-C 109.166 -1.574 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.5 -44.07 96.35 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.573 -0.957 . . . . 0.0 109.775 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -66.85 -43.66 83.06 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.545 -0.722 . . . . 0.0 109.963 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.55 -42.9 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.434 -0.791 . . . . 0.0 109.875 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.74 89.34 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.569 -0.707 . . . . 0.0 110.697 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -46.75 87.75 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.325 -0.859 . . . . 0.0 110.11 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -41.83 73.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.476 -0.765 . . . . 0.0 110.056 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.06 -32.24 73.73 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.454 -0.779 . . . . 0.0 110.437 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -49.21 78.48 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.432 -0.792 . . . . 0.0 109.799 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 m -67.84 -33.43 74.75 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.608 -0.683 . . . . 0.0 110.137 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -62.31 -41.75 98.8 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.391 -0.818 . . . . 0.0 110.241 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.09 -33.44 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.522 -0.736 . . . . 0.0 109.943 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -45.88 89.12 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.467 -0.77 . . . . 0.0 109.721 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.33 -38.98 96.58 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.38 -40.16 95.27 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.492 -1.005 . . . . 0.0 110.191 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.29 -44.19 97.09 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.439 -0.788 . . . . 0.0 110.309 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 O-C-N 121.505 -0.747 . . . . 0.0 109.904 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.617 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.53 -46.64 89.4 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.245 -1.15 . . . . 0.0 110.427 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 16' ' ' MET . 0.0 OUTLIER -60.88 -34.64 74.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.453 -0.78 . . . . 0.0 111.048 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mm -89.41 -33.27 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.362 -0.836 . . . . 0.0 110.721 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.35 -62.26 1.73 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.428 -0.795 . . . . 0.0 111.265 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -67.79 -34.91 77.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.348 -0.845 . . . . 0.0 110.768 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -60.56 -47.65 85.24 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.333 -0.854 . . . . 0.0 110.272 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -20.38 41.91 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.457 -0.777 . . . . 0.0 110.93 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -62.87 -46.9 85.71 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.307 -0.871 . . . . 0.0 109.947 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.5 m -71.21 -36.7 71.97 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.373 -0.83 . . . . 0.0 109.503 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -67.71 -42.09 82.5 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.65 -0.656 . . . . 0.0 110.479 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 tp -61.9 -29.75 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.241 -0.912 . . . . 0.0 110.199 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -39.58 63.08 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.461 -0.775 . . . . 0.0 109.684 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.2 -39.64 36.3 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.03 -43.22 95.46 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.501 -0.999 . . . . 0.0 110.351 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.38 -44.0 97.92 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.511 -0.743 . . . . 0.0 110.255 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 . . . . . 0 N--CA 1.495 1.798 0 O-C-N 121.516 -0.74 . . . . 0.0 110.365 179.652 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.464 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -55.2 -45.81 75.87 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.193 -1.181 . . . . 0.0 110.534 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 12.7 tpt85 -86.07 -25.71 25.72 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.295 -0.878 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.8 mm -81.49 -23.7 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.144 -0.972 . . . . 0.0 110.489 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.74 84.53 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.404 -0.81 . . . . 0.0 111.091 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 11.1 pt-20 -58.27 -34.76 70.85 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.212 -0.93 . . . . 0.0 110.429 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.4 mtp -79.09 -43.29 24.43 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.368 -0.832 . . . . 0.0 109.864 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -68.5 -24.33 64.66 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.459 -0.776 . . . . 0.0 110.72 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.18 -48.74 80.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 0.0 110.098 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -60.84 -36.93 80.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.473 -0.767 . . . . 0.0 110.222 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -54.78 19.01 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.56 -0.712 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.69 -34.28 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.517 -0.739 . . . . 0.0 110.255 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.87 -42.39 66.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.494 -0.754 . . . . 0.0 109.899 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.53 -39.86 93.7 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.17 -44.41 95.52 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.481 -1.011 . . . . 0.0 109.87 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.45 -36.71 65.94 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.512 -0.743 . . . . 0.0 110.423 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 . . . . . 0 N--CA 1.499 2.005 0 O-C-N 121.536 -0.727 . . . . 0.0 110.634 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.664 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -57.99 -39.63 78.72 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.415 -1.05 . . . . 0.0 109.673 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -74.1 -39.75 63.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.61 -0.681 . . . . 0.0 109.741 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.11 -42.15 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.609 -0.682 . . . . 0.0 109.748 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.98 71.08 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.545 -0.722 . . . . 0.0 110.181 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -41.22 28.3 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.538 -0.726 . . . . 0.0 110.094 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.5 tpt -59.48 -35.91 75.01 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.394 -0.816 . . . . 0.0 110.602 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 tp -68.66 -35.29 77.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.258 -0.901 . . . . 0.0 110.308 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -43.79 67.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.486 -0.759 . . . . 0.0 110.474 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.4 p -66.95 -25.91 66.58 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.334 -0.854 . . . . 0.0 110.687 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -45.57 31.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.246 -0.909 . . . . 0.0 110.116 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.78 -34.42 56.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.467 -0.771 . . . . 0.0 110.462 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.98 -41.98 15.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.378 -0.826 . . . . 0.0 110.257 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.83 -44.52 97.75 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.21 -50.27 74.67 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.632 -0.922 . . . . 0.0 110.001 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.18 -42.81 99.24 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.56 -0.712 . . . . 0.0 109.706 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.496 1.841 0 O-C-N 121.637 -0.664 . . . . 0.0 109.836 179.31 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.578 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -56.59 -46.0 81.09 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.417 -1.049 . . . . 0.0 110.093 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -64.62 -47.05 79.99 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.406 -0.809 . . . . 0.0 110.177 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.66 -40.8 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.396 -0.815 . . . . 0.0 109.925 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.04 98.26 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.531 -0.731 . . . . 0.0 110.645 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.65 -43.74 92.67 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.383 -0.823 . . . . 0.0 110.173 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 ttm -60.87 -37.12 81.04 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.562 -0.711 . . . . 0.0 110.19 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 tp -69.32 -41.27 76.91 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.496 -0.753 . . . . 0.0 110.358 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 21' ' ' ILE . 7.7 mttt -57.27 -48.59 78.48 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.603 -0.685 . . . . 0.0 110.187 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -37.39 87.2 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.451 -0.781 . . . . 0.0 110.197 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -63.67 -38.14 89.99 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.422 -0.799 . . . . 0.0 110.373 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 18' ' ' LYS . 35.6 mt -66.29 -37.18 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.476 -0.765 . . . . 0.0 109.967 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -68.79 -41.77 78.27 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.53 -0.731 . . . . 0.0 110.169 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.9 -37.16 94.25 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.28 -43.15 87.22 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.45 -1.029 . . . . 0.0 110.217 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -39.15 83.86 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.394 -0.816 . . . . 0.0 110.007 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.822 0 O-C-N 121.554 -0.716 . . . . 0.0 110.386 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.635 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -58.01 -44.91 87.54 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.428 -1.042 . . . . 0.0 110.163 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -63.61 -45.69 89.17 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.556 -0.715 . . . . 0.0 110.031 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mt -68.11 -41.64 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.474 -0.767 . . . . 0.0 109.907 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.653 -0.654 . . . . 0.0 110.79 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -45.61 46.69 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.395 -0.816 . . . . 0.0 110.072 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -44.07 97.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.599 -0.688 . . . . 0.0 110.019 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -36.36 84.12 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.47 -0.769 . . . . 0.0 110.093 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -45.1 94.12 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.786 -0.571 . . . . 0.0 110.096 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -69.08 -36.86 78.08 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.549 -0.72 . . . . 0.0 110.387 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -64.44 -43.44 94.31 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.445 -0.785 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 mm -62.83 -34.37 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.604 -0.685 . . . . 0.0 110.263 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -75.7 -32.17 59.99 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.484 -0.76 . . . . 0.0 110.308 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.3 -53.79 37.0 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.62 -28.28 69.81 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.394 -1.062 . . . . 0.0 110.817 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.3 -43.31 98.21 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.354 -0.841 . . . . 0.0 110.302 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.427 -0.796 . . . . 0.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.58 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -54.43 -44.46 72.47 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.483 -1.01 . . . . 0.0 110.091 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -77.31 -36.86 53.71 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.567 -0.708 . . . . 0.0 110.014 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -62.83 -44.33 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.368 -0.833 . . . . 0.0 109.342 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.64 98.67 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.681 -0.637 . . . . 0.0 110.197 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.21 -41.67 93.54 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.573 -0.705 . . . . 0.0 110.097 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.0 mtt -62.73 -43.03 99.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.547 -0.721 . . . . 0.0 110.141 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -38.04 89.63 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.537 -0.727 . . . . 0.0 110.227 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -39.73 95.36 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.671 -0.643 . . . . 0.0 110.026 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 t -66.12 -40.32 90.6 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.408 -0.807 . . . . 0.0 109.606 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -64.27 -41.25 97.0 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.6 -0.688 . . . . 0.0 110.296 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.436 HG23 HD13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -64.55 -32.48 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.462 -0.774 . . . . 0.0 110.077 179.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -40.21 91.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.471 -0.768 . . . . 0.0 109.702 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.66 -39.03 93.66 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.32 -38.91 93.01 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.401 -1.058 . . . . 0.0 110.101 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 25' ' ' LEU . 1.7 mm? -63.11 -36.58 84.06 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.608 -0.683 . . . . 0.0 110.203 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 . . . . . 0 N--CA 1.495 1.824 0 O-C-N 121.513 -0.742 . . . . 0.0 110.367 179.507 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.665 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -43.34 81.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.75 -0.853 . . . . 0.0 109.549 178.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.13 -45.52 88.19 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.638 -0.664 . . . . 0.0 109.638 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -64.19 -41.77 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.555 -0.716 . . . . 0.0 109.525 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.27 89.83 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.684 -0.635 . . . . 0.0 110.154 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.52 -47.45 83.87 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.448 -0.783 . . . . 0.0 109.87 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.9 ttt -64.51 -39.81 94.47 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.493 -0.754 . . . . 0.0 110.054 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.87 -40.94 90.34 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.647 -0.658 . . . . 0.0 109.843 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -38.18 90.13 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.688 -0.633 . . . . 0.0 110.0 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -64.79 -38.38 90.78 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.404 -0.81 . . . . 0.0 109.769 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -65.48 -38.79 90.82 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.526 -0.734 . . . . 0.0 109.982 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.3 mm -68.27 -35.19 70.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.518 -0.739 . . . . 0.0 109.729 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -42.43 99.77 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.63 -0.669 . . . . 0.0 109.738 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.47 -38.58 95.95 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.98 -38.08 89.73 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.533 -0.981 . . . . 0.0 109.88 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.77 -37.78 85.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.51 -0.744 . . . . 0.0 109.968 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.542 -0.724 . . . . 0.0 109.955 179.438 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.545 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.7 -40.2 82.96 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.591 -0.947 . . . . 0.0 109.794 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -65.47 -46.59 79.18 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.532 -0.73 . . . . 0.0 109.704 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -69.09 -37.57 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.384 -0.822 . . . . 0.0 109.642 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -39.82 74.12 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.555 -0.715 . . . . 0.0 110.435 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -46.91 61.58 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.349 -0.844 . . . . 0.0 109.7 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -38.45 81.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.391 -0.818 . . . . 0.0 109.717 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.82 -30.3 67.78 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.526 -0.734 . . . . 0.0 110.277 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -43.76 85.02 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.614 -0.678 . . . . 0.0 110.123 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 t -63.23 -41.02 99.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.424 -0.797 . . . . 0.0 109.789 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -66.1 -43.86 86.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.633 -0.667 . . . . 0.0 110.226 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.7 mt -66.43 -32.13 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.505 -0.747 . . . . 0.0 110.108 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.44 -46.71 87.97 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.534 -0.729 . . . . 0.0 109.875 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.33 -36.53 91.79 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.17 -41.63 94.45 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.493 -1.004 . . . . 0.0 109.84 179.231 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -37.34 84.36 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.414 -0.803 . . . . 0.0 109.862 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.839 0 O-C-N 121.54 -0.725 . . . . 0.0 109.971 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.628 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -54.79 22.96 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.4 -1.059 . . . . 0.0 111.017 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -65.13 -29.24 70.08 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.091 -1.005 . . . . 0.0 110.939 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mt -81.97 -41.01 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.189 -0.945 . . . . 0.0 110.064 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.64 -51.24 57.34 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.437 -0.79 . . . . 0.0 110.082 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.25 -44.97 93.68 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.545 -0.722 . . . . 0.0 109.614 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.5 tpp -59.83 -37.47 79.3 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.586 -0.697 . . . . 0.0 109.741 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -43.84 98.28 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.65 -0.656 . . . . 0.0 109.991 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -45.14 94.5 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.756 -0.59 . . . . 0.0 109.658 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -36.51 83.4 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.602 -0.686 . . . . 0.0 109.732 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -37.85 88.36 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.478 -0.763 . . . . 0.0 110.083 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.82 -37.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.461 -0.774 . . . . 0.0 109.699 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.65 -43.42 93.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.592 -0.692 . . . . 0.0 109.556 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.47 97.56 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.01 -40.71 85.77 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.588 -0.948 . . . . 0.0 109.954 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -61.25 -43.46 98.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.543 -0.723 . . . . 0.0 109.402 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.808 0 O-C-N 121.609 -0.682 . . . . 0.0 109.692 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.558 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -47.55 80.47 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.763 -0.845 . . . . 0.0 109.572 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -41.95 93.36 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.65 -0.656 . . . . 0.0 109.958 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mm -64.97 -42.43 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.323 -0.861 . . . . 0.0 109.139 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.16 85.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.66 -0.65 . . . . 0.0 110.045 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.66 -51.07 68.71 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.544 -0.722 . . . . 0.0 109.606 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -34.95 79.37 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.62 -0.675 . . . . 0.0 110.207 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.58 -31.88 71.38 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.388 -0.82 . . . . 0.0 110.341 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -59.07 -48.26 82.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.516 -0.74 . . . . 0.0 110.085 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -71.87 -34.12 68.94 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -48.22 76.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.553 -0.717 . . . . 0.0 110.186 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.8 mm -62.72 -33.8 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.386 -0.822 . . . . 0.0 110.155 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -43.6 84.96 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.408 -0.807 . . . . 0.0 109.862 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -40.54 59.12 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.81 -47.48 84.92 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.591 -0.946 . . . . 0.0 110.12 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.24 -39.56 90.77 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.452 -0.78 . . . . 0.0 110.06 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? . . . . . 0 N--CA 1.496 1.856 0 O-C-N 121.544 -0.722 . . . . 0.0 109.784 179.387 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.619 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.55 -39.27 87.35 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.554 -0.968 . . . . 0.0 109.776 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.95 98.49 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.6 -0.688 . . . . 0.0 109.732 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.02 -41.61 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.559 -0.713 . . . . 0.0 109.443 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.01 -41.93 84.17 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.645 -0.659 . . . . 0.0 110.419 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.66 -46.13 89.61 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.344 -0.847 . . . . 0.0 110.108 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.8 tpp -60.77 -37.08 80.64 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.487 -0.758 . . . . 0.0 109.818 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.29 -37.42 85.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.491 -0.756 . . . . 0.0 110.172 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -42.96 99.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.747 -0.595 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -69.67 -35.83 75.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.617 -0.677 . . . . 0.0 110.0 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -61.57 -41.7 97.77 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.448 -0.783 . . . . 0.0 109.605 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.423 ' HA ' HD11 ' A' ' 24' ' ' LEU . 25.5 mm -67.35 -36.1 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.655 -0.653 . . . . 0.0 109.765 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -64.05 -43.86 94.22 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.62 -0.675 . . . . 0.0 109.79 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.7 -40.22 98.48 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 21' ' ' ILE . 32.0 mt -61.9 -45.11 95.14 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.436 -1.037 . . . . 0.0 109.828 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 25' ' ' LEU . 2.4 mm? -60.96 -39.0 87.88 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.58 -0.7 . . . . 0.0 110.2 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.529 -0.732 . . . . 0.0 110.268 179.556 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.609 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -57.01 -40.38 76.54 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.475 -1.015 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -62.16 -51.88 66.09 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.359 -0.838 . . . . 0.0 109.923 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.9 mt -66.3 -41.14 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.609 -0.682 . . . . 0.0 109.825 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -45.47 94.65 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.456 -0.777 . . . . 0.0 110.411 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.24 -39.99 84.51 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.465 -0.772 . . . . 0.0 110.366 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.1 mtt -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.474 -0.766 . . . . 0.0 109.823 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -78.26 -32.03 49.4 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.445 -0.784 . . . . 0.0 110.396 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.505 ' HA ' HD11 ' A' ' 21' ' ' ILE . 22.6 mttm -53.58 -49.63 67.31 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.708 -0.62 . . . . 0.0 110.49 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -61.09 -38.65 87.04 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.457 -0.777 . . . . 0.0 110.185 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.97 -36.73 85.35 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.526 -0.734 . . . . 0.0 110.274 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 18' ' ' LYS . 22.9 mt -68.95 -32.47 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.472 -0.768 . . . . 0.0 109.707 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -68.21 -44.31 76.07 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.526 -0.734 . . . . 0.0 110.283 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.65 -42.58 99.67 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.11 -43.91 81.26 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.583 -0.951 . . . . 0.0 110.154 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.56 -34.62 77.43 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.56 -0.713 . . . . 0.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 N--CA 1.5 2.072 0 O-C-N 121.366 -0.834 . . . . 0.0 109.871 179.616 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.516 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -42.31 98.86 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.411 -1.052 . . . . 0.0 110.156 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -39.89 95.43 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.422 -0.799 . . . . 0.0 109.957 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -77.13 -41.69 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.407 -0.808 . . . . 0.0 109.906 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.49 -47.5 72.97 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.551 -0.718 . . . . 0.0 110.564 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -48.41 79.41 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.396 -0.815 . . . . 0.0 109.943 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.2 mmm -61.44 -37.87 85.1 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.456 -0.777 . . . . 0.0 109.798 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -40.12 90.12 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.613 -0.679 . . . . 0.0 110.134 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -43.01 81.65 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.71 -0.619 . . . . 0.0 109.932 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -57.34 -35.28 69.7 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.576 -0.702 . . . . 0.0 110.236 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -73.47 -46.03 50.64 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.518 -0.739 . . . . 0.0 110.042 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.416 HG23 HD12 ' A' ' 21' ' ' ILE . 25.1 mm -64.75 -37.09 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.496 -0.753 . . . . 0.0 110.138 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -79.02 -38.84 35.56 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.631 -0.668 . . . . 0.0 109.914 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.55 99.55 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.93 -27.91 69.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.607 -0.937 . . . . 0.0 110.094 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.19 -34.4 49.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.478 -0.764 . . . . 0.0 110.202 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 . . . . . 0 N--CA 1.5 2.027 0 O-C-N 121.312 -0.868 . . . . 0.0 110.191 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.656 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -40.99 93.62 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.581 -0.952 . . . . 0.0 110.072 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -65.39 -40.09 93.03 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.506 -0.746 . . . . 0.0 110.142 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 mm -76.53 -40.15 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.45 -0.782 . . . . 0.0 109.742 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.71 71.55 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.48 -0.762 . . . . 0.0 110.226 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -71.81 -50.1 32.73 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.442 -0.786 . . . . 0.0 109.864 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -40.46 78.52 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.522 -0.736 . . . . 0.0 110.348 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.09 -37.88 69.49 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.435 -0.791 . . . . 0.0 110.089 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -50.52 72.0 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.65 -0.656 . . . . 0.0 110.274 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -59.23 -35.39 73.56 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.636 -0.665 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -38.6 88.81 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.26 -0.9 . . . . 0.0 109.925 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.9 mt -68.64 -34.37 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.599 -0.688 . . . . 0.0 110.018 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.18 -43.08 74.95 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.576 -0.703 . . . . 0.0 110.095 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.29 -44.7 96.56 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.83 -38.07 81.01 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.588 -0.948 . . . . 0.0 110.398 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.98 -48.23 77.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.408 -0.807 . . . . 0.0 110.115 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.882 0 O-C-N 121.407 -0.808 . . . . 0.0 109.777 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.587 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -56.75 -30.59 63.72 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.145 -1.209 . . . . 0.0 110.672 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -68.54 -47.44 66.89 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.301 -0.874 . . . . 0.0 109.413 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.92 -33.61 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.592 -0.692 . . . . 0.0 109.896 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.98 62.76 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.557 -0.714 . . . . 0.0 110.711 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.47 -42.89 99.8 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.314 -0.866 . . . . 0.0 110.117 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.7 ttp -63.12 -42.92 99.61 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.489 -0.757 . . . . 0.0 110.091 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.3 -30.35 63.33 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.407 -0.808 . . . . 0.0 110.403 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -60.03 -52.84 63.67 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.598 -0.688 . . . . 0.0 110.121 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.4 m -61.38 -40.15 93.26 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.47 -0.769 . . . . 0.0 110.012 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -44.11 90.67 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.59 -0.694 . . . . 0.0 110.129 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.438 HG22 HD12 ' A' ' 21' ' ' ILE . 22.9 mt -63.38 -30.42 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.568 -0.707 . . . . 0.0 110.327 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -50.03 75.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.411 -0.806 . . . . 0.0 109.717 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.45 -37.53 79.0 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -41.86 97.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.478 -1.013 . . . . 0.0 109.759 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -34.92 79.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.557 -0.715 . . . . 0.0 110.484 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 N--CA 1.499 1.976 0 O-C-N 121.37 -0.831 . . . . 0.0 109.958 179.791 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.55 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -56.25 -41.16 75.32 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.489 -1.006 . . . . 0.0 110.859 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -58.08 -51.12 71.01 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.312 -0.868 . . . . 0.0 110.244 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.23 -39.18 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.465 -0.772 . . . . 0.0 109.731 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.88 73.69 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 0.0 110.263 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -44.16 78.51 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.401 -0.812 . . . . 0.0 109.974 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.0 mtt -60.96 -38.35 85.61 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 110.291 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.88 -35.09 79.23 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.424 -0.798 . . . . 0.0 110.359 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -44.71 69.75 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.44 -0.788 . . . . 0.0 110.234 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -61.9 -39.45 92.02 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.445 -0.785 . . . . 0.0 110.301 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.76 -39.91 91.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.543 -0.723 . . . . 0.0 110.494 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.458 HG22 HD12 ' A' ' 21' ' ' ILE . 44.8 mt -67.58 -33.95 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.461 -0.775 . . . . 0.0 110.189 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -46.44 83.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.543 -0.723 . . . . 0.0 110.263 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.53 -38.44 95.73 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -63.06 -42.49 99.72 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.477 -1.014 . . . . 0.0 110.185 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -41.95 96.74 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.504 -0.748 . . . . 0.0 110.315 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 O-C-N 121.413 -0.805 . . . . 0.0 109.99 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.745 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -57.17 -33.79 67.8 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.171 -1.193 . . . . 0.0 110.578 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -71.92 -39.91 69.14 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.37 -0.831 . . . . 0.0 109.951 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.8 mt -74.53 -46.77 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.775 . . . . 0.0 109.703 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.41 92.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.575 -0.703 . . . . 0.0 110.213 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.55 -44.29 97.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.429 -0.794 . . . . 0.0 109.779 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.7 mtm -63.77 -38.48 91.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.445 -0.785 . . . . 0.0 109.592 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.55 -35.18 75.41 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.66 -0.65 . . . . 0.0 109.682 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -59.69 -41.39 90.61 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -36.44 82.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.699 -0.626 . . . . 0.0 109.893 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -42.33 99.65 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.481 -0.762 . . . . 0.0 109.631 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -66.9 -33.22 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.635 -0.666 . . . . 0.0 109.893 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -44.85 92.7 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.621 -0.674 . . . . 0.0 109.79 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.66 -39.48 97.96 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.196 -1.561 . . . . 0.0 109.196 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -42.67 86.69 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.522 -0.987 . . . . 0.0 109.711 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -34.89 69.3 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.511 -0.743 . . . . 0.0 110.129 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.07 0 O-C-N 121.52 -0.737 . . . . 0.0 110.177 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.625 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -61.28 -41.14 96.44 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.483 -1.01 . . . . 0.0 109.687 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -41.47 75.47 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.515 -0.741 . . . . 0.0 109.388 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.15 -40.92 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.626 -0.671 . . . . 0.0 109.247 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.78 76.77 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.551 -0.718 . . . . 0.0 110.186 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -47.18 82.38 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.39 -0.819 . . . . 0.0 109.526 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.5 tpp -72.88 -29.47 63.19 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.421 -0.799 . . . . 0.0 109.99 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.2 tp -57.75 -41.15 81.35 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.599 -0.688 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -61.48 -43.91 98.02 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.586 -0.696 . . . . 0.0 109.322 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 m -63.61 -38.16 90.08 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.685 -0.634 . . . . 0.0 109.542 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -63.13 -41.26 99.28 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.719 -0.613 . . . . 0.0 109.868 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.5 -36.35 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.549 -0.72 . . . . 0.0 109.879 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -69.91 -44.56 69.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.556 -0.715 . . . . 0.0 109.926 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.44 -43.48 98.69 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -41.1 92.85 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.605 -0.938 . . . . 0.0 110.013 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.57 -42.43 96.62 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.524 -0.735 . . . . 0.0 110.109 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 N--CA 1.496 1.83 0 O-C-N 121.446 -0.784 . . . . 0.0 109.846 179.427 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.434 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -55.57 -38.67 69.65 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.495 -1.003 . . . . 0.0 111.135 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -45.4 93.49 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.377 -0.827 . . . . 0.0 110.489 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.74 -35.94 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.337 -0.852 . . . . 0.0 109.908 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.89 74.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.404 -0.81 . . . . 0.0 110.218 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.09 -44.99 95.46 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 110.262 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.5 mtm -66.84 -41.97 86.55 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.546 -0.721 . . . . 0.0 110.408 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.06 -26.97 61.48 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.458 -0.777 . . . . 0.0 110.615 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -58.58 -51.73 68.64 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.616 -0.677 . . . . 0.0 110.349 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -62.64 -33.47 75.1 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 110.439 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -47.56 72.09 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.366 -0.834 . . . . 0.0 110.343 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -65.35 -33.83 66.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.459 -0.776 . . . . 0.0 110.345 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -45.12 91.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.499 -0.751 . . . . 0.0 109.863 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.65 -38.54 93.31 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.3 -42.2 90.81 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.588 -0.948 . . . . 0.0 110.235 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.47 -39.22 88.67 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.54 -0.725 . . . . 0.0 109.986 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.438 -0.789 . . . . 0.0 109.98 179.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.686 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -62.8 -44.69 95.51 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.596 -0.943 . . . . 0.0 109.779 179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -43.47 97.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.57 -0.706 . . . . 0.0 109.451 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -66.26 -40.96 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.662 -0.649 . . . . 0.0 109.402 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.44 -42.42 70.55 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.634 -0.667 . . . . 0.0 109.928 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.64 -43.61 84.18 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.461 -0.775 . . . . 0.0 109.548 178.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 tpt -58.98 -39.13 80.84 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.688 -0.633 . . . . 0.0 110.237 179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -42.8 96.01 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.586 -0.696 . . . . 0.0 110.131 179.65 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -60.24 -44.18 95.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.761 -0.587 . . . . 0.0 110.132 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t -65.94 -36.01 82.19 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.48 -0.763 . . . . 0.0 110.402 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -62.33 -47.37 84.54 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.361 -0.837 . . . . 0.0 110.491 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.422 ' HA ' HD13 ' A' ' 24' ' ' LEU . 1.1 mp -62.45 -35.76 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.478 -0.764 . . . . 0.0 110.169 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -67.79 -42.82 81.04 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.598 -0.689 . . . . 0.0 109.884 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.29 96.92 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 21' ' ' ILE . 25.3 mt -61.58 -40.84 96.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.605 -0.938 . . . . 0.0 109.922 179.264 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.76 -40.17 94.23 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.671 -0.643 . . . . 0.0 109.852 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.809 0 O-C-N 121.482 -0.761 . . . . 0.0 110.206 179.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.63 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 1.1 tt0 -60.74 -31.06 70.4 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.41 -1.053 . . . . 0.0 110.43 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.26 72.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.178 -0.951 . . . . 0.0 110.636 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 66.2 mt -92.28 -58.14 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.349 -0.845 . . . . 0.0 110.882 -179.712 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.83 -51.06 62.35 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.452 -0.78 . . . . 0.0 111.686 -178.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 11' ' ' GLN . 2.4 tt0 -63.42 -49.7 72.69 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.23 -0.919 . . . . 0.0 110.645 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -41.46 98.89 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.328 -0.858 . . . . 0.0 110.8 -179.858 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 2.0 mm? -63.01 -32.2 73.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.221 -0.924 . . . . 0.0 110.504 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -49.74 76.46 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.519 -0.738 . . . . 0.0 109.832 179.563 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -73.95 -33.32 63.86 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.94 179.166 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -60.91 -37.2 81.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.554 -0.716 . . . . 0.0 110.28 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -36.37 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.496 -0.753 . . . . 0.0 109.977 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.08 -41.69 67.05 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.519 -0.738 . . . . 0.0 110.034 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.99 -44.54 88.43 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.26 -40.88 82.99 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.613 -0.933 . . . . 0.0 110.199 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.94 -34.9 79.17 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.494 -0.754 . . . . 0.0 110.291 179.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.892 0 O-C-N 121.367 -0.833 . . . . 0.0 110.272 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.539 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -55.88 3.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.033 -1.275 . . . . 0.0 109.843 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -21.09 30.99 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.626 -0.672 . . . . 0.0 110.437 179.45 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.406 HG21 HD12 ' A' ' 13' ' ' ILE . 34.6 mm -79.94 -31.67 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.277 -0.889 . . . . 0.0 110.231 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.11 -51.68 67.04 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.401 -0.812 . . . . 0.0 110.3 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -43.9 94.16 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.615 -0.678 . . . . 0.0 109.936 179.55 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -35.32 78.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.396 -0.815 . . . . 0.0 109.737 179.005 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.5 tp -68.52 -32.5 72.5 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.506 -0.746 . . . . 0.0 109.92 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -47.92 84.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.544 -0.723 . . . . 0.0 109.862 179.212 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 p -74.75 -34.81 62.58 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.546 -0.721 . . . . 0.0 109.631 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -65.05 -43.4 92.44 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.508 -0.745 . . . . 0.0 109.97 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.7 mm -63.02 -33.96 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.509 -0.745 . . . . 0.0 109.915 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -64.12 -42.79 96.72 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.511 -0.743 . . . . 0.0 109.62 179.18 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.91 -37.79 93.62 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.191 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -30.96 61.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.463 -1.022 . . . . 0.0 110.089 179.277 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 -18.04 63.76 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.476 -0.765 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.5 2.072 0 O-C-N 121.194 -0.941 . . . . 0.0 110.166 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.499 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -57.07 -33.99 67.82 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.159 -1.201 . . . . 0.0 110.264 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -81.14 -41.96 21.64 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.322 -0.861 . . . . 0.0 109.501 179.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.5 mt -64.07 -39.02 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.645 -0.66 . . . . 0.0 109.689 179.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.91 94.78 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.575 -0.703 . . . . 0.0 110.301 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.61 -41.8 95.95 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.43 -0.794 . . . . 0.0 109.992 179.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -46.46 77.8 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.49 -0.756 . . . . 0.0 109.569 179.395 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.7 -37.78 88.63 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.543 -0.723 . . . . 0.0 109.794 179.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -58.56 -41.32 85.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.719 -0.613 . . . . 0.0 109.836 179.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t -62.52 -41.86 99.14 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.537 -0.727 . . . . 0.0 109.774 179.221 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -40.33 89.9 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.586 -0.696 . . . . 0.0 109.758 179.155 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.37 -36.35 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.548 -0.72 . . . . 0.0 109.635 179.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.88 85.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.771 -0.581 . . . . 0.0 109.961 179.24 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.32 -43.14 99.75 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.66 -28.37 68.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.602 -0.94 . . . . 0.0 109.887 178.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -38.65 71.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.593 -0.692 . . . . 0.0 110.302 179.555 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.499 2.011 0 O-C-N 121.409 -0.807 . . . . 0.0 109.749 179.244 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.732 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -57.24 -47.41 81.45 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.542 -0.975 . . . . 0.0 110.088 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -68.68 -42.98 77.08 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.503 -0.748 . . . . 0.0 110.128 179.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.3 mt -63.03 -44.95 99.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.413 -0.804 . . . . 0.0 109.677 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.21 81.26 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.541 -0.724 . . . . 0.0 110.175 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.45 -46.52 86.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.386 -0.821 . . . . 0.0 109.814 179.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 tpt -68.82 -36.07 77.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.558 -0.714 . . . . 0.0 109.606 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.06 -19.39 61.84 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.633 -0.667 . . . . 0.0 110.549 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -56.24 -48.22 76.94 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.576 -0.703 . . . . 0.0 110.181 179.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -64.41 -39.44 93.85 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.57 -0.706 . . . . 0.0 110.099 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -60.51 -39.73 88.85 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.465 -0.772 . . . . 0.0 109.984 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 mt -68.51 -35.18 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.448 -0.783 . . . . 0.0 109.77 179.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 2.1 tp60 -65.66 -31.45 72.47 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.765 -0.584 . . . . 0.0 110.583 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.21 -48.57 67.86 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.67 -30.09 61.47 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.465 -1.02 . . . . 0.0 110.022 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 22' ' ' GLN . 16.3 mt -67.16 -27.0 66.93 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.495 -0.753 . . . . 0.0 110.611 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.502 2.152 0 O-C-N 121.39 -0.819 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.492 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -55.22 -41.92 72.69 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.213 -1.169 . . . . 0.0 110.647 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.3 -39.21 48.74 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.431 -0.793 . . . . 0.0 110.322 179.653 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -70.09 -35.26 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.426 -0.796 . . . . 0.0 110.197 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.6 82.53 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.528 -0.732 . . . . 0.0 110.422 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -41.37 96.72 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.561 -0.712 . . . . 0.0 109.657 179.326 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 ttm -72.67 -36.94 68.04 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.474 -0.766 . . . . 0.0 109.989 179.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -29.72 70.6 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.401 -0.812 . . . . 0.0 110.458 179.658 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -44.62 87.7 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.607 -0.683 . . . . 0.0 109.327 179.286 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -73.07 -34.27 66.14 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.655 -0.653 . . . . 0.0 109.319 178.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -61.51 -39.39 90.83 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.668 -0.645 . . . . 0.0 109.706 179.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.99 -34.88 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.528 -0.733 . . . . 0.0 109.922 179.298 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -62.39 -49.78 74.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.589 -0.694 . . . . 0.0 109.776 179.514 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.42 99.87 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.09 -44.79 87.8 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.631 -0.923 . . . . 0.0 110.084 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.95 -40.49 89.19 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 0.0 109.935 179.339 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.655 -0.653 . . . . 0.0 109.665 179.246 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.492 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -56.28 -38.79 71.67 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.857 -1.378 . . . . 0.0 111.025 -179.554 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -84.86 -35.64 22.1 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.137 -0.977 . . . . 0.0 109.931 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.11 -36.13 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.467 -0.77 . . . . 0.0 110.275 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.93 83.54 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.438 -0.789 . . . . 0.0 110.544 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -43.28 90.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.457 -0.777 . . . . 0.0 110.143 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.7 ttp -68.0 -35.88 79.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.483 -0.761 . . . . 0.0 110.326 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 tp -75.72 -25.22 56.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.278 -0.888 . . . . 0.0 110.426 179.586 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -59.88 -49.64 76.89 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.507 -0.745 . . . . 0.0 110.261 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.2 p -64.67 -35.06 79.8 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.484 -0.76 . . . . 0.0 110.217 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -63.85 -47.92 78.82 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.508 -0.745 . . . . 0.0 110.155 179.586 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.28 -33.25 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.416 -0.803 . . . . 0.0 110.061 179.639 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -62.0 -48.95 78.01 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.493 -0.754 . . . . 0.0 109.755 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.25 93.16 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.149 -1.581 . . . . 0.0 109.149 178.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.41 -40.63 97.73 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.62 -0.93 . . . . 0.0 109.926 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -41.06 91.38 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.56 -0.713 . . . . 0.0 110.139 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.488 -0.757 . . . . 0.0 110.264 179.867 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.614 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.64 -40.66 88.38 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.324 -1.103 . . . . 0.0 109.871 179.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -79.94 -41.52 25.86 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.556 -0.715 . . . . 0.0 110.005 179.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.13 -38.09 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.494 -0.754 . . . . 0.0 110.224 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.2 -38.21 68.1 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.503 -0.748 . . . . 0.0 110.49 179.515 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.47 -41.26 66.25 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.443 -0.786 . . . . 0.0 110.042 179.353 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -45.64 78.3 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.343 -0.848 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -24.39 64.73 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.475 -0.766 . . . . 0.0 110.285 179.651 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -44.08 84.4 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.671 -0.643 . . . . 0.0 110.163 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -63.43 -39.3 94.11 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.559 -0.713 . . . . 0.0 110.033 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -40.48 94.87 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.453 -0.78 . . . . 0.0 109.946 179.527 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 mt -72.87 -32.44 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.478 -0.764 . . . . 0.0 110.267 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -60.68 -47.27 86.99 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.529 -0.732 . . . . 0.0 109.972 179.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.65 -42.99 98.55 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.09 -40.15 94.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.67 -0.9 . . . . 0.0 109.902 179.199 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.73 -39.41 93.59 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.563 -0.71 . . . . 0.0 110.132 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.507 -0.746 . . . . 0.0 110.158 179.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.51 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -57.38 -40.09 77.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.523 -0.987 . . . . 0.0 110.224 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -46.14 73.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.526 -0.733 . . . . 0.0 110.132 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.6 mt -71.66 -36.54 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.37 -0.831 . . . . 0.0 110.309 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.58 -48.36 74.94 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -0.796 . . . . 0.0 110.603 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.7 -43.38 80.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.43 -0.794 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 43.9 mmm -61.38 -36.27 79.8 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.53 -0.731 . . . . 0.0 110.158 179.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.28 -33.26 65.13 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.524 -0.735 . . . . 0.0 110.499 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -43.82 98.3 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.571 -0.706 . . . . 0.0 110.43 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -72.26 -35.16 68.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.332 -0.855 . . . . 0.0 110.101 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -62.25 -47.13 85.72 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.494 -0.754 . . . . 0.0 110.114 179.415 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 21' ' ' ILE . 21.0 mm -61.98 -33.75 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.434 -0.791 . . . . 0.0 110.108 179.44 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -40.81 87.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.672 -0.643 . . . . 0.0 109.972 179.348 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.84 -41.55 97.45 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -50.75 71.5 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.597 -0.943 . . . . 0.0 110.027 179.523 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.28 -41.85 99.04 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.579 -0.701 . . . . 0.0 109.951 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 O-C-N 121.446 -0.784 . . . . 0.0 110.023 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.608 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -43.84 98.07 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.462 -1.023 . . . . 0.0 109.702 179.422 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -47.44 77.68 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.47 -0.769 . . . . 0.0 109.594 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.41 -42.39 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.625 -0.672 . . . . 0.0 109.635 179.246 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.66 91.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.493 -0.754 . . . . 0.0 110.527 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.53 -41.64 94.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.428 -0.795 . . . . 0.0 110.437 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.33 -32.94 74.85 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.419 -0.801 . . . . 0.0 110.084 179.404 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.61 -25.41 53.85 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.384 -0.822 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -45.72 89.66 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.476 -0.765 . . . . 0.0 110.243 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -67.25 -32.55 73.64 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.529 -0.732 . . . . 0.0 110.041 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -64.53 -40.07 94.92 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.36 -0.838 . . . . 0.0 110.108 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mp -74.93 -26.37 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.468 -0.77 . . . . 0.0 109.913 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.87 -46.98 78.12 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.558 -0.714 . . . . 0.0 110.431 179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.72 95.61 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.29 -41.07 86.04 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.474 -1.015 . . . . 0.0 109.827 179.273 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -30.18 70.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.761 -0.587 . . . . 0.0 110.657 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.961 0 O-C-N 121.331 -0.855 . . . . 0.0 110.39 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.543 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -58.39 -36.36 73.42 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.578 -0.954 . . . . 0.0 110.484 179.525 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -63.88 -44.65 92.4 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.394 -0.816 . . . . 0.0 110.218 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.8 mt -80.32 -44.01 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.452 -0.78 . . . . 0.0 110.315 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 18' ' ' LYS . . . -60.81 -46.19 91.5 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.325 -0.859 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.08 -47.04 69.35 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.374 -0.829 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 ttm -63.73 -34.9 78.92 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.38 -0.825 . . . . 0.0 110.468 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tp -81.02 -31.09 34.76 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.326 -0.859 . . . . 0.0 110.116 179.485 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 20.3 tptt -55.6 -45.43 77.47 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.588 -0.695 . . . . 0.0 110.629 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.0 p -61.86 -38.14 87.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.384 -0.822 . . . . 0.0 110.359 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -68.66 -40.88 79.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.434 -0.791 . . . . 0.0 110.338 179.68 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.6 mm -66.31 -30.95 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.35 -0.844 . . . . 0.0 110.185 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -50.35 73.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.531 -0.73 . . . . 0.0 109.953 179.624 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.59 -38.88 86.72 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 179.396 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.48 -42.15 98.58 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.549 -0.971 . . . . 0.0 110.338 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tp -66.6 -38.28 86.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.523 -0.736 . . . . 0.0 110.38 179.75 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.942 0 O-C-N 121.45 -0.781 . . . . 0.0 110.184 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.581 0 N-CA-C 109.944 -1.263 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -38.16 80.87 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.436 -1.037 . . . . 0.0 110.676 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -54.39 -42.25 70.18 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.504 -0.748 . . . . 0.0 110.286 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -88.3 -38.27 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.463 -0.773 . . . . 0.0 109.791 179.476 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.72 98.29 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.515 -0.741 . . . . 0.0 111.09 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.03 -45.54 75.19 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.288 -0.882 . . . . 0.0 110.573 -179.803 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -42.12 95.27 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.413 -0.804 . . . . 0.0 110.069 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.13 -39.38 78.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.483 -0.761 . . . . 0.0 110.403 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 21' ' ' ILE . 5.0 tmtt? -64.37 -36.21 83.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.626 -0.671 . . . . 0.0 110.456 179.755 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 t -64.96 -37.44 87.64 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.196 -0.94 . . . . 0.0 109.662 179.4 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -79.17 -40.47 30.79 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.69 -0.631 . . . . 0.0 110.312 179.643 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 18' ' ' LYS . 1.3 tp -67.38 -31.5 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.379 -0.825 . . . . 0.0 110.953 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -65.56 -48.02 73.83 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.34 -0.85 . . . . 0.0 109.789 179.627 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.73 -41.31 93.82 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 179.379 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.31 -40.24 93.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.461 -1.023 . . . . 0.0 110.137 179.601 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.56 -41.07 98.69 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.458 -0.776 . . . . 0.0 110.245 179.655 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.377 -0.827 . . . . 0.0 109.455 179.339 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.624 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -40.75 73.97 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.497 -1.002 . . . . 0.0 109.541 178.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -44.14 96.86 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.576 -0.702 . . . . 0.0 110.254 179.543 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -79.68 -31.92 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.431 -0.793 . . . . 0.0 110.254 179.693 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.07 -54.44 30.2 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.354 -0.841 . . . . 0.0 110.454 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -66.57 -32.64 74.11 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.466 -0.771 . . . . 0.0 110.259 179.484 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -27.96 69.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.354 -0.841 . . . . 0.0 109.792 178.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mp -80.12 -24.9 40.18 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.469 -0.769 . . . . 0.0 110.14 179.34 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -62.04 -44.53 96.49 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.486 -0.759 . . . . 0.0 110.063 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 p -67.57 -35.78 79.66 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.476 -0.765 . . . . 0.0 109.88 179.413 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.13 -41.74 93.29 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.548 -0.72 . . . . 0.0 109.848 179.349 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 mm -68.68 -32.4 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.623 -0.673 . . . . 0.0 109.591 179.268 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -46.59 89.28 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.672 -0.642 . . . . 0.0 109.626 179.12 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.45 -40.86 98.08 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.034 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.53 -42.3 98.43 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.626 -0.926 . . . . 0.0 109.699 179.157 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.94 -36.89 84.91 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.596 -0.69 . . . . 0.0 110.12 179.403 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.937 0 O-C-N 121.448 -0.782 . . . . 0.0 110.016 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.476 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.33 -41.45 84.6 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.444 -1.033 . . . . 0.0 110.02 179.564 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -44.55 66.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.495 -0.753 . . . . 0.0 109.968 179.479 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.02 -39.81 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.565 -0.709 . . . . 0.0 109.742 179.427 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.29 95.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.562 -0.711 . . . . 0.0 110.154 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -70.11 -33.73 72.22 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.42 -0.8 . . . . 0.0 110.198 179.603 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -35.07 68.78 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.38 -0.825 . . . . 0.0 109.702 179.125 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.98 -26.49 23.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.577 -0.702 . . . . 0.0 110.274 179.087 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -51.79 64.26 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.596 -0.69 . . . . 0.0 110.389 179.853 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -64.98 -34.93 79.61 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.423 -0.798 . . . . 0.0 110.264 179.664 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -63.34 -40.21 96.69 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.483 -0.761 . . . . 0.0 110.141 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 mt -65.91 -39.9 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.507 -0.746 . . . . 0.0 109.605 179.467 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -71.08 -40.48 71.54 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.747 -0.596 . . . . 0.0 109.614 179.238 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.52 -44.84 96.42 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 179.272 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.17 -44.69 88.1 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.475 -1.015 . . . . 0.0 109.775 179.266 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.13 -42.7 88.75 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.608 -0.683 . . . . 0.0 109.475 178.913 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.733 -0.604 . . . . 0.0 110.091 179.558 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.763 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -43.82 94.79 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.56 -0.965 . . . . 0.0 109.357 179.167 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -43.27 97.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.694 -0.629 . . . . 0.0 109.377 178.782 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.45 -41.52 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.639 -0.663 . . . . 0.0 109.505 179.228 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.19 -39.28 66.48 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.597 -0.689 . . . . 0.0 110.234 179.444 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -69.69 -42.07 74.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.383 -0.823 . . . . 0.0 109.69 179.226 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.2 ttt -64.04 -30.6 71.66 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.527 -0.733 . . . . 0.0 110.243 179.306 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -32.29 64.94 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.645 -0.66 . . . . 0.0 110.312 179.514 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' HA ' HD13 ' A' ' 21' ' ' ILE . 10.3 tttt -57.19 -40.62 77.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.662 -0.649 . . . . 0.0 109.836 179.15 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -62.16 -40.89 97.52 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.542 -0.724 . . . . 0.0 110.013 179.327 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -62.29 -41.5 98.54 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.498 -0.751 . . . . 0.0 109.951 179.467 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 18' ' ' LYS . 43.4 mt -62.43 -37.31 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.573 -0.705 . . . . 0.0 109.624 179.325 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -65.38 -39.37 92.16 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.659 -0.65 . . . . 0.0 109.7 179.148 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.62 99.8 Favored Glycine 0 N--CA 1.496 2.691 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 179.124 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.38 -37.49 85.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.602 -0.94 . . . . 0.0 109.519 178.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.19 -40.19 93.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.687 -0.633 . . . . 0.0 109.874 179.203 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 O-C-N 121.629 -0.67 . . . . 0.0 110.037 179.524 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.423 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -62.74 -53.58 52.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.476 -1.014 . . . . 0.0 109.862 179.562 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 13' ' ' ILE . 8.4 ptp180 -68.64 -30.83 69.63 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.393 -0.817 . . . . 0.0 110.398 179.593 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 46.0 mt -70.84 -42.63 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.17 -0.957 . . . . 0.0 109.332 179.032 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.76 79.1 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 0.0 110.388 179.426 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.46 -42.85 92.96 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.396 -0.815 . . . . 0.0 110.173 179.738 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -34.44 67.95 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.5 -0.75 . . . . 0.0 110.16 179.458 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.03 -27.42 66.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.502 -0.749 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HA ' HD12 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -54.37 -49.68 69.27 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.511 -0.743 . . . . 0.0 110.562 -179.948 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -61.26 -36.86 81.17 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.438 -0.789 . . . . 0.0 110.171 179.684 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -38.2 85.28 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.54 -0.725 . . . . 0.0 110.254 179.534 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 18' ' ' LYS . 25.1 mt -64.95 -38.94 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.528 -0.733 . . . . 0.0 110.087 179.75 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -65.17 -45.7 83.81 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.68 -0.637 . . . . 0.0 109.971 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.12 -42.84 97.9 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.94 -38.29 90.54 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.645 -0.915 . . . . 0.0 109.682 179.068 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -38.8 90.26 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.545 -0.722 . . . . 0.0 109.983 179.3 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.463 -0.773 . . . . 0.0 109.674 179.367 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.376 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -45.41 74.71 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.582 -0.952 . . . . 0.0 110.293 179.804 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -59.82 -36.4 76.73 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.612 -0.68 . . . . 0.0 110.335 179.718 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.459 HG23 HD11 ' A' ' 13' ' ' ILE . 43.3 mm -82.44 -42.63 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.465 -0.772 . . . . 0.0 110.035 179.827 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.96 95.99 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.603 -0.686 . . . . 0.0 111.158 -179.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.14 -52.05 67.37 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.408 -0.807 . . . . 0.0 110.399 -179.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.4 ttm -67.63 -36.08 80.13 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.479 -0.763 . . . . 0.0 110.312 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.8 tp -69.56 -33.96 73.5 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.404 -0.81 . . . . 0.0 110.665 179.849 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -51.42 -49.65 61.21 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.596 -0.69 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.9 t -61.86 -38.45 88.32 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.592 -0.693 . . . . 0.0 109.995 179.417 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -66.46 -42.03 88.16 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.602 -0.686 . . . . 0.0 110.13 179.495 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mm -66.55 -33.52 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.552 -0.717 . . . . 0.0 110.05 179.569 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -58.65 -49.23 78.3 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.541 -0.724 . . . . 0.0 109.492 179.323 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.56 -44.47 63.86 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.088 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -44.4 87.79 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.528 -0.984 . . . . 0.0 110.17 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.96 -44.47 94.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.623 -0.673 . . . . 0.0 109.979 179.424 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 N--CA 1.496 1.848 0 O-C-N 121.452 -0.78 . . . . 0.0 109.874 179.476 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 121.157 0.503 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.4 106.5 5.21 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.306 -0.871 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -108.49 -49.7 3.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.454 -0.779 . . . . 0.0 110.459 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.27 -49.13 8.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.462 -0.774 . . . . 0.0 110.427 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.47 78.94 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.452 -0.78 . . . . 0.0 110.72 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -42.53 95.53 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.257 -0.902 . . . . 0.0 110.192 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.9 mm -66.56 -37.33 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.433 -0.792 . . . . 0.0 110.44 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -43.84 93.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.272 -0.892 . . . . 0.0 110.058 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.08 95.18 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.525 -0.734 . . . . 0.0 110.21 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.79 -40.16 97.15 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.166 -1.574 . . . . 0.0 109.166 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.5 -44.07 96.35 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.573 -0.957 . . . . 0.0 109.775 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -66.85 -43.66 83.06 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.545 -0.722 . . . . 0.0 109.963 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.55 -42.9 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.434 -0.791 . . . . 0.0 109.875 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.74 89.34 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.569 -0.707 . . . . 0.0 110.697 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -46.75 87.75 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.325 -0.859 . . . . 0.0 110.11 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -41.83 73.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.476 -0.765 . . . . 0.0 110.056 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.06 -32.24 73.73 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.454 -0.779 . . . . 0.0 110.437 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -49.21 78.48 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.432 -0.792 . . . . 0.0 109.799 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 m -67.84 -33.43 74.75 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.608 -0.683 . . . . 0.0 110.137 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -62.31 -41.75 98.8 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.391 -0.818 . . . . 0.0 110.241 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.09 -33.44 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.522 -0.736 . . . . 0.0 109.943 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -45.88 89.12 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.467 -0.77 . . . . 0.0 109.721 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.33 -38.98 96.58 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.38 -40.16 95.27 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.492 -1.005 . . . . 0.0 110.191 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.29 -44.19 97.09 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.439 -0.788 . . . . 0.0 110.309 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -41.33 97.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.505 -0.747 . . . . 0.0 109.904 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -39.43 89.89 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.487 -0.758 . . . . 0.0 110.026 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.55 -40.58 92.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.622 -0.673 . . . . 0.0 110.269 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -65.82 -39.06 90.5 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.622 -0.674 . . . . 0.0 109.992 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -36.67 83.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.443 -0.785 . . . . 0.0 110.139 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -25.45 65.55 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.438 -0.789 . . . . 0.0 110.443 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.18 -37.79 13.13 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.365 -0.834 . . . . 0.0 110.526 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -89.73 -51.38 5.54 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.379 -0.825 . . . . 0.0 110.683 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' ILE . 5.3 m-20 53.64 28.32 7.82 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.724 -0.61 . . . . 0.0 111.286 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' ASP . 27.4 pt 34.44 42.82 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.523 0 CA-C-O 121.15 0.5 . . . . 0.0 111.777 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -134.16 88.95 29.69 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.286 -0.883 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.46 138.22 29.4 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.808 1.425 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.01 -48.51 4.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.513 -0.742 . . . . 0.0 110.581 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 40' ' ' GLN . 12.4 ptm -75.71 -23.28 56.09 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.405 -0.809 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 39' ' ' MET . 24.6 mt-30 . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.262 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.103 0.478 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t -96.66 156.72 16.22 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.418 -0.801 . . . . 0.0 110.256 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 4' ' ' ALA . 11.4 ptt85 -61.6 -31.68 71.75 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.585 -0.697 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 3' ' ' ARG . . . -74.15 -41.68 61.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.239 -0.913 . . . . 0.0 110.137 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.82 84.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.561 -0.712 . . . . 0.0 110.57 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.83 -42.38 99.71 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.445 -0.784 . . . . 0.0 110.4 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.1 mt -70.46 -39.36 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.378 -0.826 . . . . 0.0 110.085 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.77 -43.59 94.29 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.524 -0.735 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.58 -53.39 56.95 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.515 -0.74 . . . . 0.0 110.457 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -38.47 96.25 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.53 -46.64 89.4 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.245 -1.15 . . . . 0.0 110.427 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' A' ' 16' ' ' MET . 0.0 OUTLIER -60.88 -34.64 74.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.453 -0.78 . . . . 0.0 111.048 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mm -89.41 -33.27 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.362 -0.836 . . . . 0.0 110.721 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.35 -62.26 1.73 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.428 -0.795 . . . . 0.0 111.265 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -67.79 -34.91 77.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.348 -0.845 . . . . 0.0 110.768 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -60.56 -47.65 85.24 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.333 -0.854 . . . . 0.0 110.272 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -20.38 41.91 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.457 -0.777 . . . . 0.0 110.93 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -62.87 -46.9 85.71 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.307 -0.871 . . . . 0.0 109.947 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.5 m -71.21 -36.7 71.97 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.373 -0.83 . . . . 0.0 109.503 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -67.71 -42.09 82.5 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.65 -0.656 . . . . 0.0 110.479 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 tp -61.9 -29.75 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.241 -0.912 . . . . 0.0 110.199 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -39.58 63.08 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.461 -0.775 . . . . 0.0 109.684 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.2 -39.64 36.3 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.03 -43.22 95.46 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.501 -0.999 . . . . 0.0 110.351 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.38 -44.0 97.92 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.511 -0.743 . . . . 0.0 110.255 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -73.5 -33.29 64.73 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.516 -0.74 . . . . 0.0 110.365 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -66.9 -41.81 86.54 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.438 -0.789 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.91 96.29 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.685 -0.635 . . . . 0.0 110.256 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 t -71.61 -35.58 70.53 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.729 -0.607 . . . . 0.0 110.537 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -38.53 82.02 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.261 -0.9 . . . . 0.0 111.214 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -63.71 -39.45 94.33 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.908 -1.12 . . . . 0.0 111.343 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.49 -34.68 13.99 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.399 -0.813 . . . . 0.0 112.163 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.1 -3.12 26.33 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.098 -1.001 . . . . 0.0 112.227 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -146.03 76.07 1.44 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.813 -1.18 . . . . 0.0 110.554 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.5 mp -81.95 52.29 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.358 -0.839 . . . . 0.0 109.34 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -91.07 152.27 44.01 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.349 -0.845 . . . . 0.0 110.398 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.38 167.23 26.89 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.886 1.466 . . . . 0.0 110.428 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.84 -42.68 4.87 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.473 -0.767 . . . . 0.0 110.633 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.0 ttp -88.18 -49.93 6.69 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.355 -0.841 . . . . 0.0 110.413 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.243 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 120.982 0.42 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -96.63 158.07 15.61 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.437 -0.789 . . . . 0.0 110.33 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -61.21 -49.86 75.43 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.47 -0.769 . . . . 0.0 109.837 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.91 83.07 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.625 -0.672 . . . . 0.0 109.855 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.97 85.42 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.61 -0.681 . . . . 0.0 110.133 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.94 -38.81 87.14 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.51 -0.744 . . . . 0.0 110.087 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.7 mt -72.49 -35.64 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.535 -0.728 . . . . 0.0 109.904 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.5 -46.55 86.49 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.603 -0.686 . . . . 0.0 110.188 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.2 -28.27 42.61 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.395 -0.816 . . . . 0.0 110.036 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.42 -17.47 64.27 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -55.2 -45.81 75.87 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.193 -1.181 . . . . 0.0 110.534 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 12.7 tpt85 -86.07 -25.71 25.72 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.295 -0.878 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.8 mm -81.49 -23.7 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.144 -0.972 . . . . 0.0 110.489 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.74 84.53 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.404 -0.81 . . . . 0.0 111.091 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 11.1 pt-20 -58.27 -34.76 70.85 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.212 -0.93 . . . . 0.0 110.429 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.4 mtp -79.09 -43.29 24.43 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.368 -0.832 . . . . 0.0 109.864 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -68.5 -24.33 64.66 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.459 -0.776 . . . . 0.0 110.72 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.18 -48.74 80.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 0.0 110.098 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -60.84 -36.93 80.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.473 -0.767 . . . . 0.0 110.222 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -54.78 19.01 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.56 -0.712 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.69 -34.28 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.517 -0.739 . . . . 0.0 110.255 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.87 -42.39 66.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.494 -0.754 . . . . 0.0 109.899 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.53 -39.86 93.7 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.17 -44.41 95.52 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.481 -1.011 . . . . 0.0 109.87 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.45 -36.71 65.94 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.512 -0.743 . . . . 0.0 110.423 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -59.94 -37.97 81.07 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.536 -0.727 . . . . 0.0 110.634 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -33.99 73.42 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.362 -0.836 . . . . 0.0 110.376 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.39 -24.41 29.66 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.52 -0.738 . . . . 0.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.6 p -85.75 -20.34 29.42 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.328 -0.857 . . . . 0.0 111.51 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -55.31 -37.93 68.02 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.238 -0.914 . . . . 0.0 110.922 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -50.04 68.53 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.283 -0.886 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.24 -23.96 28.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.37 -0.831 . . . . 0.0 110.608 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -54.55 -39.91 68.17 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 110.999 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -52.22 2.1 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.321 -0.862 . . . . 0.0 110.401 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 39.6 37.91 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-O 121.369 0.604 . . . . 0.0 111.884 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -146.11 165.45 20.5 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.196 -0.94 . . . . 0.0 110.215 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.67 116.7 4.81 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.827 1.435 . . . . 0.0 110.282 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.39 19.79 16.04 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.545 -0.722 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.3 mtp -76.04 -32.85 59.55 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.241 -0.912 . . . . 0.0 110.329 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.12 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 121.044 0.449 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -133.8 143.74 48.57 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.484 -0.76 . . . . 0.0 110.33 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -105.97 -51.07 3.04 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.429 -0.795 . . . . 0.0 110.419 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.58 -46.35 80.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.543 -0.723 . . . . 0.0 110.48 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.97 84.7 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.518 -0.739 . . . . 0.0 110.388 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.86 -45.54 89.88 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.491 -0.755 . . . . 0.0 110.019 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.6 mt -64.76 -40.85 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.558 -0.714 . . . . 0.0 109.508 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.29 -35.75 79.98 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.606 -0.684 . . . . 0.0 110.143 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.28 -49.56 73.54 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.507 -0.746 . . . . 0.0 110.181 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.31 -41.24 96.78 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -57.99 -39.63 78.72 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.415 -1.05 . . . . 0.0 109.673 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -74.1 -39.75 63.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.61 -0.681 . . . . 0.0 109.741 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.11 -42.15 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.609 -0.682 . . . . 0.0 109.748 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.98 71.08 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.545 -0.722 . . . . 0.0 110.181 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -41.22 28.3 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.538 -0.726 . . . . 0.0 110.094 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.5 tpt -59.48 -35.91 75.01 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.394 -0.816 . . . . 0.0 110.602 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 tp -68.66 -35.29 77.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.258 -0.901 . . . . 0.0 110.308 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -43.79 67.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.486 -0.759 . . . . 0.0 110.474 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.4 p -66.95 -25.91 66.58 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.334 -0.854 . . . . 0.0 110.687 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -45.57 31.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.246 -0.909 . . . . 0.0 110.116 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.78 -34.42 56.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.467 -0.771 . . . . 0.0 110.462 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.98 -41.98 15.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.378 -0.826 . . . . 0.0 110.257 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.83 -44.52 97.75 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.21 -50.27 74.67 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.632 -0.922 . . . . 0.0 110.001 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.18 -42.81 99.24 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.56 -0.712 . . . . 0.0 109.706 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -62.33 -42.36 99.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.637 -0.664 . . . . 0.0 109.836 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -70.53 -30.98 67.87 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.548 -0.72 . . . . 0.0 110.571 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.81 -3.4 53.85 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.524 -0.735 . . . . 0.0 111.067 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 t -86.48 -63.7 1.27 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.201 -0.937 . . . . 0.0 109.925 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.61 -40.32 88.77 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.382 -0.824 . . . . 0.0 110.232 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -39.0 84.38 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.253 -0.904 . . . . 0.0 110.459 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.02 -20.21 42.23 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.268 -0.895 . . . . 0.0 110.81 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -90.28 -52.02 5.14 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.206 -0.934 . . . . 0.0 110.16 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.58 -43.41 55.77 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.48 -0.762 . . . . 0.0 109.875 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.5 mm -114.15 56.48 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.521 -0.737 . . . . 0.0 109.377 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -56.8 140.95 75.3 Favored Pre-proline 0 N--CA 1.5 2.048 0 O-C-N 121.438 -0.789 . . . . 0.0 110.806 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.42 95.08 0.77 Allowed 'Trans proline' 0 C--N 1.316 -1.174 0 O-C-N 123.999 1.526 . . . . 0.0 110.619 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.09 -35.38 12.59 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.458 -0.776 . . . . 0.0 110.551 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.7 ttp -95.91 -48.48 5.7 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.41 -0.806 . . . . 0.0 110.107 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 . . . . . 0 N--CA 1.498 1.942 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.649 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 120.997 0.427 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -146.89 129.64 16.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.415 -0.803 . . . . 0.0 110.389 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -63.09 -48.03 80.34 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.638 -0.663 . . . . 0.0 110.331 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.56 93.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.474 -0.766 . . . . 0.0 110.28 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.91 79.92 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.496 -0.752 . . . . 0.0 110.251 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -40.0 95.42 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.48 -0.763 . . . . 0.0 109.902 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.6 mm -70.63 -37.86 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.517 -0.739 . . . . 0.0 109.676 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.53 -44.5 96.0 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.563 -0.711 . . . . 0.0 110.362 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.1 -49.06 79.14 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.506 -0.746 . . . . 0.0 110.098 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.08 -43.15 82.45 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -56.59 -46.0 81.09 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.417 -1.049 . . . . 0.0 110.093 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -64.62 -47.05 79.99 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.406 -0.809 . . . . 0.0 110.177 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.66 -40.8 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.396 -0.815 . . . . 0.0 109.925 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.04 98.26 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.531 -0.731 . . . . 0.0 110.645 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.65 -43.74 92.67 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.383 -0.823 . . . . 0.0 110.173 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 ttm -60.87 -37.12 81.04 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.562 -0.711 . . . . 0.0 110.19 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 tp -69.32 -41.27 76.91 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.496 -0.753 . . . . 0.0 110.358 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 21' ' ' ILE . 7.7 mttt -57.27 -48.59 78.48 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.603 -0.685 . . . . 0.0 110.187 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -37.39 87.2 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.451 -0.781 . . . . 0.0 110.197 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -63.67 -38.14 89.99 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.422 -0.799 . . . . 0.0 110.373 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 18' ' ' LYS . 35.6 mt -66.29 -37.18 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.476 -0.765 . . . . 0.0 109.967 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -68.79 -41.77 78.27 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.53 -0.731 . . . . 0.0 110.169 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.9 -37.16 94.25 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.28 -43.15 87.22 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.45 -1.029 . . . . 0.0 110.217 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -39.15 83.86 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.394 -0.816 . . . . 0.0 110.007 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -42.56 60.0 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.554 -0.716 . . . . 0.0 110.386 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -73.72 -36.51 65.22 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.471 -0.768 . . . . 0.0 111.079 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.33 96.8 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.46 -0.775 . . . . 0.0 110.418 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 t -67.03 -39.77 87.06 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.585 -0.697 . . . . 0.0 110.147 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -71.78 -46.72 57.4 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.442 -0.786 . . . . 0.0 109.813 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.74 -33.48 76.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.526 -0.734 . . . . 0.0 109.838 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.56 -35.79 80.59 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.377 -0.827 . . . . 0.0 109.975 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.15 -52.35 14.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.556 -0.715 . . . . 0.0 109.621 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -139.47 -101.73 0.16 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.551 -0.718 . . . . 0.0 109.451 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.2 pt -153.44 10.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.091 -1.006 . . . . 0.0 111.816 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -146.9 163.32 29.39 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.822 -1.174 . . . . 0.0 110.96 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -83.95 -91.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.228 0 O-C-N 123.923 1.486 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.02 20.49 15.65 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.001 -1.062 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 mmm -90.66 -42.62 10.64 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.132 -0.98 . . . . 0.0 110.471 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.462 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.85 0 CA-C-O 121.031 0.443 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 m -128.11 108.78 10.92 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.494 -0.753 . . . . 0.0 110.042 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.95 -15.85 14.6 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.423 -0.798 . . . . 0.0 111.367 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.84 75.34 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.243 -0.91 . . . . 0.0 110.635 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.22 -38.49 80.06 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.524 -0.735 . . . . 0.0 110.457 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.37 -40.49 97.41 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.631 -0.668 . . . . 0.0 110.211 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.0 mm -71.28 -40.36 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.481 -0.762 . . . . 0.0 109.964 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.56 -45.46 85.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.697 -0.627 . . . . 0.0 110.334 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -47.0 87.47 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.596 -0.69 . . . . 0.0 110.048 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.18 -34.41 69.76 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -58.01 -44.91 87.54 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.428 -1.042 . . . . 0.0 110.163 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -63.61 -45.69 89.17 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.556 -0.715 . . . . 0.0 110.031 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mt -68.11 -41.64 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.474 -0.767 . . . . 0.0 109.907 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.653 -0.654 . . . . 0.0 110.79 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -45.61 46.69 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.395 -0.816 . . . . 0.0 110.072 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -44.07 97.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.599 -0.688 . . . . 0.0 110.019 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -36.36 84.12 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.47 -0.769 . . . . 0.0 110.093 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -45.1 94.12 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.786 -0.571 . . . . 0.0 110.096 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -69.08 -36.86 78.08 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.549 -0.72 . . . . 0.0 110.387 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -64.44 -43.44 94.31 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.445 -0.785 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 mm -62.83 -34.37 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.604 -0.685 . . . . 0.0 110.263 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -75.7 -32.17 59.99 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.484 -0.76 . . . . 0.0 110.308 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.3 -53.79 37.0 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.62 -28.28 69.81 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.394 -1.062 . . . . 0.0 110.817 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.3 -43.31 98.21 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.354 -0.841 . . . . 0.0 110.302 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.45 -42.37 14.55 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.427 -0.796 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -59.11 -42.12 89.8 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.496 -0.753 . . . . 0.0 111.156 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.15 82.42 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.504 -0.748 . . . . 0.0 111.023 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -36.4 19.66 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.436 -0.79 . . . . 0.0 110.675 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.514 ' HD3' ' HB2' ' A' ' 34' ' ' ASP . 2.2 mmpt? -67.78 -26.41 66.09 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.132 -0.98 . . . . 0.0 110.726 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -44.66 -45.39 9.66 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.288 -0.882 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.62 -25.39 16.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.46 -0.775 . . . . 0.0 111.414 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.33 33.64 4.2 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.022 -1.049 . . . . 0.0 112.245 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.514 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 33.8 t70 -124.49 -97.56 0.43 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.849 -1.157 . . . . 0.0 109.925 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 tt -166.86 75.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.912 -1.118 . . . . 0.0 110.042 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.58 126.1 61.08 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.233 -0.917 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.75 -9.82 24.27 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 O-C-N 123.985 1.518 . . . . 0.0 111.513 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.92 -30.79 68.09 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.164 -0.96 . . . . 0.0 110.756 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 45.7 mtt -82.51 -45.13 15.08 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.323 -0.861 . . . . 0.0 110.323 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.701 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.004 0.43 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -75.68 142.66 42.46 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.477 -0.764 . . . . 0.0 110.451 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.47 -40.11 19.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.348 -0.845 . . . . 0.0 110.019 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.408 ' HA ' ' CD1' ' A' ' 7' ' ' ILE . . . -60.24 -34.64 73.97 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.522 -0.736 . . . . 0.0 109.936 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.35 -36.1 60.98 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.627 -0.67 . . . . 0.0 110.721 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.57 -38.43 87.46 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.405 -0.809 . . . . 0.0 110.084 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.408 ' CD1' ' HA ' ' A' ' 4' ' ' ALA . 4.6 mt -70.09 -49.61 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.456 -0.778 . . . . 0.0 110.005 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -50.94 68.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.529 -0.732 . . . . 0.0 110.457 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -67.29 -37.66 83.77 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.351 -0.843 . . . . 0.0 110.068 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.99 -36.14 79.57 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -54.43 -44.46 72.47 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.483 -1.01 . . . . 0.0 110.091 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -77.31 -36.86 53.71 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.567 -0.708 . . . . 0.0 110.014 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -62.83 -44.33 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.368 -0.833 . . . . 0.0 109.342 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.64 98.67 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.681 -0.637 . . . . 0.0 110.197 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.21 -41.67 93.54 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.573 -0.705 . . . . 0.0 110.097 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.0 mtt -62.73 -43.03 99.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.547 -0.721 . . . . 0.0 110.141 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -38.04 89.63 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.537 -0.727 . . . . 0.0 110.227 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -39.73 95.36 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.671 -0.643 . . . . 0.0 110.026 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 t -66.12 -40.32 90.6 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.408 -0.807 . . . . 0.0 109.606 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -64.27 -41.25 97.0 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.6 -0.688 . . . . 0.0 110.296 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.436 HG23 HD13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -64.55 -32.48 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.462 -0.774 . . . . 0.0 110.077 179.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -40.21 91.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.471 -0.768 . . . . 0.0 109.702 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.66 -39.03 93.66 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.32 -38.91 93.01 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.401 -1.058 . . . . 0.0 110.101 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 25' ' ' LEU . 1.7 mm? -63.11 -36.58 84.06 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.608 -0.683 . . . . 0.0 110.203 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -78.12 -21.42 50.41 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.513 -0.742 . . . . 0.0 110.367 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -22.06 66.52 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.362 -0.836 . . . . 0.0 111.012 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.94 -41.77 68.13 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.495 -0.753 . . . . 0.0 110.116 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.2 p -92.78 -28.91 16.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.629 -0.67 . . . . 0.0 109.771 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -42.48 90.96 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.469 -0.769 . . . . 0.0 110.677 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -54.03 -28.34 37.81 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.509 -0.744 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.12 70.96 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.255 -0.903 . . . . 0.0 110.04 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -109.21 31.26 5.87 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 110.705 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.96 -57.4 3.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.158 -0.964 . . . . 0.0 110.628 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.7 mt -103.34 50.31 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.213 -0.93 . . . . 0.0 109.532 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -121.69 74.04 33.83 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.0 110.253 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -74.93 -11.77 21.62 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.784 1.413 . . . . 0.0 111.385 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.53 19.19 6.44 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.19 -0.944 . . . . 0.0 111.406 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.2 tpt -90.21 -49.0 6.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.046 -1.034 . . . . 0.0 110.224 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.249 179.746 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 120.995 0.426 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.16 157.69 43.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.444 -0.785 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 -96.28 -41.88 8.44 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.516 -0.74 . . . . 0.0 110.311 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.67 -20.38 29.5 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.389 -0.819 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.75 82.95 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.213 -0.93 . . . . 0.0 110.996 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.85 -28.86 58.5 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.236 -0.915 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.2 mt -68.91 -48.69 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.135 -0.978 . . . . 0.0 109.198 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -73.15 -31.78 64.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.55 -0.719 . . . . 0.0 109.892 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.91 -43.1 59.8 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.481 -0.762 . . . . 0.0 110.188 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.96 -40.26 99.07 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -43.34 81.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.75 -0.853 . . . . 0.0 109.549 178.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.13 -45.52 88.19 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.638 -0.664 . . . . 0.0 109.638 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -64.19 -41.77 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.555 -0.716 . . . . 0.0 109.525 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.27 89.83 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.684 -0.635 . . . . 0.0 110.154 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.52 -47.45 83.87 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.448 -0.783 . . . . 0.0 109.87 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.9 ttt -64.51 -39.81 94.47 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.493 -0.754 . . . . 0.0 110.054 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.87 -40.94 90.34 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.647 -0.658 . . . . 0.0 109.843 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -38.18 90.13 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.688 -0.633 . . . . 0.0 110.0 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -64.79 -38.38 90.78 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.404 -0.81 . . . . 0.0 109.769 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -65.48 -38.79 90.82 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.526 -0.734 . . . . 0.0 109.982 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.3 mm -68.27 -35.19 70.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.518 -0.739 . . . . 0.0 109.729 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -42.43 99.77 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.63 -0.669 . . . . 0.0 109.738 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.47 -38.58 95.95 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.98 -38.08 89.73 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.533 -0.981 . . . . 0.0 109.88 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.77 -37.78 85.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.51 -0.744 . . . . 0.0 109.968 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -62.75 -46.32 88.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.542 -0.724 . . . . 0.0 109.955 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.77 74.22 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.457 -0.777 . . . . 0.0 110.072 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.56 -27.46 68.64 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.674 -0.641 . . . . 0.0 110.503 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 m -59.87 -52.57 64.86 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.438 -0.789 . . . . 0.0 109.63 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -70.48 -37.31 74.21 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.616 -0.678 . . . . 0.0 109.765 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -37.8 88.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.419 -0.801 . . . . 0.0 109.992 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.76 72.97 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.53 -0.731 . . . . 0.0 109.973 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -93.3 5.07 52.82 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.478 -0.764 . . . . 0.0 110.861 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.44 83.93 1.05 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.221 -0.925 . . . . 0.0 109.93 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.2 mt -91.18 30.4 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.437 -0.79 . . . . 0.0 110.251 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.68 153.77 47.22 Favored Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 121.2 -0.938 . . . . 0.0 109.878 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -72.13 -80.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.835 1.439 . . . . 0.0 111.343 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.85 20.58 17.4 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.99 -1.069 . . . . 0.0 111.274 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -79.23 -27.18 42.43 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.111 -0.993 . . . . 0.0 110.72 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.261 -0.899 . . . . 0.0 110.179 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 121.131 0.491 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -79.9 142.81 34.81 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.32 -0.862 . . . . 0.0 110.245 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -49.09 3.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.492 -0.755 . . . . 0.0 110.388 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.504 ' HA ' HD13 ' A' ' 7' ' ' ILE . . . -57.31 -48.42 78.99 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.542 -0.724 . . . . 0.0 110.621 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -45.11 87.06 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.584 -0.698 . . . . 0.0 110.36 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.36 -40.82 71.74 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.665 -0.647 . . . . 0.0 110.346 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 4' ' ' ALA . 37.5 mt -65.58 -43.61 94.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.436 -0.79 . . . . 0.0 109.852 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.69 -41.77 99.29 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.577 -0.702 . . . . 0.0 110.047 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -63.82 -39.74 94.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.49 -0.756 . . . . 0.0 110.137 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.81 99.71 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.7 -40.2 82.96 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.591 -0.947 . . . . 0.0 109.794 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -65.47 -46.59 79.18 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.532 -0.73 . . . . 0.0 109.704 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 mm -69.09 -37.57 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.384 -0.822 . . . . 0.0 109.642 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -39.82 74.12 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.555 -0.715 . . . . 0.0 110.435 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -46.91 61.58 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.349 -0.844 . . . . 0.0 109.7 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -38.45 81.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.391 -0.818 . . . . 0.0 109.717 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 mt -69.82 -30.3 67.78 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.526 -0.734 . . . . 0.0 110.277 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -43.76 85.02 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.614 -0.678 . . . . 0.0 110.123 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 t -63.23 -41.02 99.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.424 -0.797 . . . . 0.0 109.789 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -66.1 -43.86 86.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.633 -0.667 . . . . 0.0 110.226 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.7 mt -66.43 -32.13 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.505 -0.747 . . . . 0.0 110.108 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.44 -46.71 87.97 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.534 -0.729 . . . . 0.0 109.875 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.33 -36.53 91.79 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.17 -41.63 94.45 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.493 -1.004 . . . . 0.0 109.84 179.231 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.95 -37.34 84.36 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.414 -0.803 . . . . 0.0 109.862 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -35.99 82.21 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.54 -0.725 . . . . 0.0 109.971 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -77.5 -31.45 53.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.294 -0.878 . . . . 0.0 109.866 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -29.08 69.23 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.707 -0.621 . . . . 0.0 110.52 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.3 p -64.51 -33.81 76.77 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.464 -0.772 . . . . 0.0 110.37 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -44.02 86.16 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.392 -0.817 . . . . 0.0 110.057 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -29.81 67.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.615 -0.678 . . . . 0.0 110.489 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.45 66.72 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.249 -0.907 . . . . 0.0 110.739 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.19 -20.56 44.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.38 -0.825 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 t70 57.79 56.03 5.07 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.535 -0.728 . . . . 0.0 110.735 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.2 mm -119.37 27.04 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.416 -0.803 . . . . 0.0 110.064 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -132.71 84.77 49.22 Favored Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 121.125 -0.984 . . . . 0.0 109.93 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -75.55 73.61 4.57 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 O-C-N 123.839 1.442 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.89 -13.48 14.12 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.316 -0.865 . . . . 0.0 111.015 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 45.1 mtm -100.79 20.5 15.17 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.098 -1.001 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.77 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.024 0.44 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.38 131.86 56.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.475 -0.766 . . . . 0.0 110.109 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -81.87 0.47 39.48 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.493 -0.755 . . . . 0.0 111.524 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.2 -25.46 63.43 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.064 -1.022 . . . . 0.0 110.856 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.47 -27.62 62.65 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.345 -0.847 . . . . 0.0 111.193 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mp -52.47 -48.86 65.62 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.31 -0.868 . . . . 0.0 110.33 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.44 -34.45 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.487 -0.758 . . . . 0.0 109.41 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.555 ' HA ' ' HB2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -62.51 -32.66 73.63 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.643 -0.661 . . . . 0.0 110.405 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -67.4 -19.83 65.45 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.45 -0.781 . . . . 0.0 111.205 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.73 -55.8 0.29 Allowed Glycine 0 N--CA 1.495 2.628 0 C-N-CA 119.937 -1.125 . . . . 0.0 110.357 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -54.79 22.96 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.4 -1.059 . . . . 0.0 111.017 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.555 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 1.2 mmt85 -65.13 -29.24 70.08 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.091 -1.005 . . . . 0.0 110.939 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mt -81.97 -41.01 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.189 -0.945 . . . . 0.0 110.064 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.64 -51.24 57.34 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.437 -0.79 . . . . 0.0 110.082 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.25 -44.97 93.68 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.545 -0.722 . . . . 0.0 109.614 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.5 tpp -59.83 -37.47 79.3 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.586 -0.697 . . . . 0.0 109.741 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -43.84 98.28 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.65 -0.656 . . . . 0.0 109.991 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -45.14 94.5 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.756 -0.59 . . . . 0.0 109.658 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -36.51 83.4 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.602 -0.686 . . . . 0.0 109.732 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -37.85 88.36 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.478 -0.763 . . . . 0.0 110.083 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.82 -37.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.461 -0.774 . . . . 0.0 109.699 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.65 -43.42 93.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.592 -0.692 . . . . 0.0 109.556 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.47 97.56 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.01 -40.71 85.77 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.588 -0.948 . . . . 0.0 109.954 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -61.25 -43.46 98.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.543 -0.723 . . . . 0.0 109.402 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -39.03 80.22 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.609 -0.682 . . . . 0.0 109.692 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -62.67 -33.51 75.22 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.606 -0.684 . . . . 0.0 110.506 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.44 -27.34 65.17 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.598 -0.689 . . . . 0.0 110.685 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -43.12 93.6 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.524 -0.735 . . . . 0.0 110.1 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -59.68 -37.65 79.37 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -64.67 -40.32 95.2 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.359 -0.838 . . . . 0.0 109.804 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.89 -27.66 61.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.572 -0.705 . . . . 0.0 110.182 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' HG2' ' HG3' ' A' ' 36' ' ' GLN . 33.1 mt-30 -97.11 30.7 2.66 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.573 -0.704 . . . . 0.0 110.756 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.3 -43.86 97.84 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.245 -0.909 . . . . 0.0 110.321 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.9 pt -107.62 40.24 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.481 -0.762 . . . . 0.0 110.122 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.514 ' HG3' ' HG2' ' A' ' 33' ' ' GLN . 1.5 mm-40 -92.61 131.18 34.67 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.318 -0.864 . . . . 0.0 110.421 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.61 172.72 14.59 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.846 1.445 . . . . 0.0 110.641 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.46 19.46 20.54 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.533 -0.729 . . . . 0.0 110.77 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -87.5 -39.33 15.27 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.176 -0.952 . . . . 0.0 110.544 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.072 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.886 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.02 0.438 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -156.62 173.43 16.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.518 -0.739 . . . . 0.0 110.248 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -58.82 -26.5 64.2 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.485 -0.76 . . . . 0.0 110.483 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.446 ' HA ' HD11 ' A' ' 7' ' ' ILE . . . -62.69 -35.83 80.97 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.364 -0.835 . . . . 0.0 109.979 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.5 97.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.46 -0.775 . . . . 0.0 109.907 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -64.85 -33.69 76.61 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.479 -0.763 . . . . 0.0 110.073 179.336 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' A' ' 4' ' ' ALA . 67.8 mt -70.56 -34.57 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.254 -0.904 . . . . 0.0 109.986 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.21 -46.69 66.78 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.352 -0.843 . . . . 0.0 110.959 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -63.29 -30.68 71.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.048 -1.033 . . . . 0.0 110.645 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.526 ' N ' ' HG3' ' A' ' 9' ' ' GLU . . . -72.37 -38.41 58.35 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -47.55 80.47 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.763 -0.845 . . . . 0.0 109.572 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -41.95 93.36 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.65 -0.656 . . . . 0.0 109.958 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mm -64.97 -42.43 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.323 -0.861 . . . . 0.0 109.139 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.16 85.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.66 -0.65 . . . . 0.0 110.045 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.66 -51.07 68.71 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.544 -0.722 . . . . 0.0 109.606 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -34.95 79.37 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.62 -0.675 . . . . 0.0 110.207 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.58 -31.88 71.38 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.388 -0.82 . . . . 0.0 110.341 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -59.07 -48.26 82.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.516 -0.74 . . . . 0.0 110.085 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -71.87 -34.12 68.94 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -48.22 76.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.553 -0.717 . . . . 0.0 110.186 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.8 mm -62.72 -33.8 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.386 -0.822 . . . . 0.0 110.155 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -43.6 84.96 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.408 -0.807 . . . . 0.0 109.862 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -40.54 59.12 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.81 -47.48 84.92 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.591 -0.946 . . . . 0.0 110.12 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.24 -39.56 90.77 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.452 -0.78 . . . . 0.0 110.06 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -63.02 -44.08 96.94 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.544 -0.722 . . . . 0.0 109.784 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -37.38 87.35 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.527 -0.733 . . . . 0.0 110.231 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.15 87.41 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.678 -0.639 . . . . 0.0 109.634 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -65.5 -41.46 93.17 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -69.58 -35.86 75.75 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.544 -0.723 . . . . 0.0 109.747 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.54 -36.09 78.34 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.624 -0.672 . . . . 0.0 109.998 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.2 -4.79 46.48 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.264 -0.897 . . . . 0.0 110.787 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.83 -50.77 39.56 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.226 -0.921 . . . . 0.0 111.02 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.03 -68.04 0.14 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.147 -0.97 . . . . 0.0 111.582 -179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.5 pt 37.2 47.26 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 CA-C-O 121.342 0.592 . . . . 0.0 111.599 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 7.2 pt20 -95.27 119.86 64.9 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 121.143 -0.973 . . . . 0.0 110.598 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -77.63 64.14 8.05 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 O-C-N 123.781 1.411 . . . . 0.0 110.657 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.32 -46.68 4.52 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.315 -0.865 . . . . 0.0 110.092 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.0 ttp -87.18 -28.63 22.3 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.528 -0.732 . . . . 0.0 110.487 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 . . . . . 0 N--CA 1.508 2.467 0 CA-C-O 117.85 -1.071 . . . . 0.0 111.979 -179.856 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 121.49 0.662 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 p -80.4 158.92 25.85 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.332 -0.855 . . . . 0.0 110.39 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -79.18 -35.51 41.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.493 -0.754 . . . . 0.0 110.349 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.412 ' HA ' HD11 ' A' ' 7' ' ' ILE . . . -62.8 -26.74 68.88 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.592 -0.692 . . . . 0.0 110.771 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.86 77.21 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.474 -0.766 . . . . 0.0 110.598 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.59 -39.0 86.48 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.554 -0.716 . . . . 0.0 110.22 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 4' ' ' ALA . 17.9 mt -63.62 -39.81 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.443 -0.786 . . . . 0.0 109.849 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -45.3 89.59 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.437 -0.789 . . . . 0.0 110.064 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.27 -42.87 82.42 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.583 -0.698 . . . . 0.0 110.284 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.04 -42.74 98.06 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.55 -39.27 87.35 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.554 -0.968 . . . . 0.0 109.776 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.95 98.49 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.6 -0.688 . . . . 0.0 109.732 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.02 -41.61 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.559 -0.713 . . . . 0.0 109.443 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.01 -41.93 84.17 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.645 -0.659 . . . . 0.0 110.419 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.66 -46.13 89.61 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.344 -0.847 . . . . 0.0 110.108 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.8 tpp -60.77 -37.08 80.64 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.487 -0.758 . . . . 0.0 109.818 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.29 -37.42 85.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.491 -0.756 . . . . 0.0 110.172 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -42.96 99.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.747 -0.595 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -69.67 -35.83 75.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.617 -0.677 . . . . 0.0 110.0 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -61.57 -41.7 97.77 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.448 -0.783 . . . . 0.0 109.605 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.423 ' HA ' HD11 ' A' ' 24' ' ' LEU . 25.5 mm -67.35 -36.1 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.655 -0.653 . . . . 0.0 109.765 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -64.05 -43.86 94.22 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.62 -0.675 . . . . 0.0 109.79 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.7 -40.22 98.48 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 21' ' ' ILE . 32.0 mt -61.9 -45.11 95.14 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.436 -1.037 . . . . 0.0 109.828 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 25' ' ' LEU . 2.4 mm? -60.96 -39.0 87.88 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.58 -0.7 . . . . 0.0 110.2 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -66.67 -35.09 79.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.529 -0.732 . . . . 0.0 110.268 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -32.83 73.9 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.274 -0.891 . . . . 0.0 110.047 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.97 -12.75 58.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.629 -0.669 . . . . 0.0 111.065 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 p -70.35 -32.64 70.42 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.167 -0.958 . . . . 0.0 110.733 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -50.32 69.94 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.369 -0.832 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -37.51 73.74 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.354 -0.841 . . . . 0.0 110.861 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.03 -29.23 49.28 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.416 -0.803 . . . . 0.0 111.09 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -49.21 8.37 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.11 -0.994 . . . . 0.0 110.454 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.23 -24.34 62.18 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.522 -0.736 . . . . 0.0 110.666 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 mm 55.7 73.79 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.608 0.718 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -87.56 153.58 53.12 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.386 -0.821 . . . . 0.0 110.327 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.22 178.79 6.14 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.987 1.519 . . . . 0.0 110.744 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.58 19.49 7.31 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.441 -0.787 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.3 mmm -95.57 -53.57 3.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.166 -0.959 . . . . 0.0 110.071 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.156 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.047 0.451 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -141.01 106.32 5.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.407 -0.808 . . . . 0.0 110.316 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -65.22 -43.03 92.8 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.639 -0.663 . . . . 0.0 110.733 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -56.14 -41.85 76.0 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.578 -0.701 . . . . 0.0 110.495 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.77 -42.12 98.59 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.446 -0.784 . . . . 0.0 110.26 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -39.9 90.69 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.395 -0.815 . . . . 0.0 110.108 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 4' ' ' ALA . 31.4 mt -62.02 -42.46 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -0.779 . . . . 0.0 110.094 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.71 -42.49 99.68 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.44 -0.788 . . . . 0.0 109.884 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -46.82 87.66 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.614 -0.678 . . . . 0.0 109.953 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.05 -40.31 72.8 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -57.01 -40.38 76.54 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.475 -1.015 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -62.16 -51.88 66.09 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.359 -0.838 . . . . 0.0 109.923 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.9 mt -66.3 -41.14 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.609 -0.682 . . . . 0.0 109.825 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -45.47 94.65 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.456 -0.777 . . . . 0.0 110.411 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.24 -39.99 84.51 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.465 -0.772 . . . . 0.0 110.366 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.1 mtt -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.474 -0.766 . . . . 0.0 109.823 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -78.26 -32.03 49.4 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.445 -0.784 . . . . 0.0 110.396 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.505 ' HA ' HD11 ' A' ' 21' ' ' ILE . 22.6 mttm -53.58 -49.63 67.31 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.708 -0.62 . . . . 0.0 110.49 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -61.09 -38.65 87.04 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.457 -0.777 . . . . 0.0 110.185 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.97 -36.73 85.35 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.526 -0.734 . . . . 0.0 110.274 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 18' ' ' LYS . 22.9 mt -68.95 -32.47 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.472 -0.768 . . . . 0.0 109.707 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -68.21 -44.31 76.07 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.526 -0.734 . . . . 0.0 110.283 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.65 -42.58 99.67 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.11 -43.91 81.26 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.583 -0.951 . . . . 0.0 110.154 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.56 -34.62 77.43 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.56 -0.713 . . . . 0.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.74 -43.5 85.41 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.366 -0.834 . . . . 0.0 109.871 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -69.61 -32.73 71.61 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.575 -0.703 . . . . 0.0 110.047 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.54 -10.54 58.23 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.654 -0.654 . . . . 0.0 110.724 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -84.97 -46.45 11.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.381 -0.824 . . . . 0.0 110.23 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -58.83 -45.21 90.56 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.379 -0.826 . . . . 0.0 110.452 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -28.13 69.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.372 -0.83 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.66 -23.25 39.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.272 -0.892 . . . . 0.0 110.7 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -51.15 65.14 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.365 -0.835 . . . . 0.0 110.741 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -107.72 -41.71 4.94 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.393 -0.817 . . . . 0.0 110.551 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.467 HG23 HD13 ' A' ' 35' ' ' ILE . 0.4 OUTLIER 57.81 13.84 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.665 -0.647 . . . . 0.0 111.773 179.718 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -147.19 129.65 7.74 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 120.758 -1.214 . . . . 0.0 110.791 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.03 -24.81 16.88 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 O-C-N 123.84 1.442 . . . . 0.0 110.831 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.25 21.1 18.04 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.337 -0.852 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.2 ttp -70.72 -45.73 64.36 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.251 -0.906 . . . . 0.0 110.668 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 . . . . . 0 N--CA 1.504 2.238 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.943 -179.916 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 121.072 0.463 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 p -104.49 113.72 27.48 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.481 -0.762 . . . . 0.0 110.505 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -108.89 -62.61 1.45 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.451 -0.781 . . . . 0.0 109.913 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.446 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -61.24 -44.75 96.74 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.491 -0.755 . . . . 0.0 110.106 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -35.46 80.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.454 -0.779 . . . . 0.0 110.132 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 tp -62.61 -35.25 78.96 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.448 -0.782 . . . . 0.0 110.315 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.446 HD12 ' HA ' ' A' ' 4' ' ' ALA . 59.9 mt -59.56 -46.59 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.36 -0.837 . . . . 0.0 109.548 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.31 -31.79 69.26 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.605 -0.685 . . . . 0.0 110.267 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.4 -47.88 78.08 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.391 -0.818 . . . . 0.0 110.075 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.49 -36.58 68.85 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -42.31 98.86 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.411 -1.052 . . . . 0.0 110.156 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -39.89 95.43 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.422 -0.799 . . . . 0.0 109.957 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -77.13 -41.69 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.407 -0.808 . . . . 0.0 109.906 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.49 -47.5 72.97 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.551 -0.718 . . . . 0.0 110.564 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -48.41 79.41 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.396 -0.815 . . . . 0.0 109.943 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.2 mmm -61.44 -37.87 85.1 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.456 -0.777 . . . . 0.0 109.798 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -40.12 90.12 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.613 -0.679 . . . . 0.0 110.134 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -43.01 81.65 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.71 -0.619 . . . . 0.0 109.932 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -57.34 -35.28 69.7 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.576 -0.702 . . . . 0.0 110.236 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -73.47 -46.03 50.64 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.518 -0.739 . . . . 0.0 110.042 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.416 HG23 HD12 ' A' ' 21' ' ' ILE . 25.1 mm -64.75 -37.09 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.496 -0.753 . . . . 0.0 110.138 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -79.02 -38.84 35.56 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.631 -0.668 . . . . 0.0 109.914 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.55 99.55 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.93 -27.91 69.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.607 -0.937 . . . . 0.0 110.094 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.19 -34.4 49.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.478 -0.764 . . . . 0.0 110.202 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -57.42 -52.01 67.09 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.312 -0.868 . . . . 0.0 110.191 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -66.22 -27.98 68.39 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.384 -0.822 . . . . 0.0 110.447 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.85 -29.09 67.34 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.618 -0.676 . . . . 0.0 110.38 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -61.5 -45.3 94.82 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.599 -0.688 . . . . 0.0 110.182 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -69.98 -36.47 75.22 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.428 -0.795 . . . . 0.0 109.991 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -68.78 -32.49 72.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.374 -0.829 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.68 -48.44 9.46 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.243 -0.911 . . . . 0.0 111.097 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -50.87 4.92 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.108 -0.995 . . . . 0.0 111.02 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t70 56.65 32.17 20.55 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.645 -0.659 . . . . 0.0 110.782 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.9 tt -158.58 36.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.207 -0.933 . . . . 0.0 110.805 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.66 150.62 44.05 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.017 -1.052 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -74.91 95.83 0.99 Allowed 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.789 1.415 . . . . 0.0 110.425 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.65 20.43 17.12 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.449 -0.782 . . . . 0.0 111.077 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -46.94 71.52 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.094 -1.004 . . . . 0.0 110.524 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.204 179.811 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.08 0.467 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -140.19 132.47 28.26 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.522 -0.736 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -58.06 2.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.495 -0.753 . . . . 0.0 109.877 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.94 -49.92 72.18 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.571 -0.706 . . . . 0.0 110.352 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.63 -38.74 92.26 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.537 -0.727 . . . . 0.0 110.47 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.46 -48.06 83.41 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.489 -0.757 . . . . 0.0 110.212 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -71.08 -39.06 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.386 -0.821 . . . . 0.0 110.071 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -47.67 82.27 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.497 -0.752 . . . . 0.0 110.353 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -64.77 -36.99 86.1 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.414 -0.804 . . . . 0.0 110.308 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.09 -43.79 96.73 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -40.99 93.62 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.581 -0.952 . . . . 0.0 110.072 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -65.39 -40.09 93.03 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.506 -0.746 . . . . 0.0 110.142 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 mm -76.53 -40.15 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.45 -0.782 . . . . 0.0 109.742 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.71 71.55 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.48 -0.762 . . . . 0.0 110.226 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -71.81 -50.1 32.73 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.442 -0.786 . . . . 0.0 109.864 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -40.46 78.52 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.522 -0.736 . . . . 0.0 110.348 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.09 -37.88 69.49 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.435 -0.791 . . . . 0.0 110.089 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -50.52 72.0 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.65 -0.656 . . . . 0.0 110.274 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -59.23 -35.39 73.56 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.636 -0.665 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -38.6 88.81 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.26 -0.9 . . . . 0.0 109.925 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.9 mt -68.64 -34.37 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.599 -0.688 . . . . 0.0 110.018 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.18 -43.08 74.95 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.576 -0.703 . . . . 0.0 110.095 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.29 -44.7 96.56 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.83 -38.07 81.01 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.588 -0.948 . . . . 0.0 110.398 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.98 -48.23 77.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.408 -0.807 . . . . 0.0 110.115 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -42.7 93.15 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.407 -0.808 . . . . 0.0 109.777 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -37.43 87.56 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.57 -0.706 . . . . 0.0 110.18 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -43.86 93.61 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.596 -0.69 . . . . 0.0 110.213 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -61.09 -41.85 97.41 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.643 -0.661 . . . . 0.0 110.1 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -65.32 -38.1 89.12 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.53 -0.731 . . . . 0.0 110.163 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -35.79 82.2 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.538 -0.726 . . . . 0.0 110.447 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.86 -34.7 64.6 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.442 -0.786 . . . . 0.0 110.653 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -30.67 30.29 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.405 -0.809 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.4 34.65 1.14 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.296 -0.877 . . . . 0.0 111.242 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.3 tt -131.5 36.36 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.115 -0.99 . . . . 0.0 110.434 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -130.0 141.26 41.24 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.081 -1.012 . . . . 0.0 110.073 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.3 -38.82 4.35 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 124.076 1.567 . . . . 0.0 111.046 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.1 61.65 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.239 -0.913 . . . . 0.0 110.831 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.9 mtp -100.64 -46.6 5.13 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.37 -0.831 . . . . 0.0 110.644 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 . . . . . 0 N--CA 1.496 1.844 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.699 -179.675 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.041 0.448 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.39 156.18 47.83 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.492 -0.755 . . . . 0.0 110.234 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -92.41 6.76 45.8 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.414 -0.803 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.45 -47.93 82.4 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.197 -0.94 . . . . 0.0 110.032 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.98 -32.76 74.21 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.63 -0.669 . . . . 0.0 110.016 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 6' ' ' LEU . 2.4 mm? -60.66 -39.33 87.99 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.423 -0.798 . . . . 0.0 109.8 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.9 mt -73.81 -32.1 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.523 -0.736 . . . . 0.0 109.936 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -56.64 -50.89 70.71 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.494 -0.754 . . . . 0.0 110.489 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -87.05 -30.84 20.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.415 -0.803 . . . . 0.0 110.236 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.85 -29.4 67.51 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -56.75 -30.59 63.72 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.145 -1.209 . . . . 0.0 110.672 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -68.54 -47.44 66.89 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.301 -0.874 . . . . 0.0 109.413 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 mp -74.92 -33.61 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.592 -0.692 . . . . 0.0 109.896 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.98 62.76 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.557 -0.714 . . . . 0.0 110.711 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.47 -42.89 99.8 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.314 -0.866 . . . . 0.0 110.117 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.7 ttp -63.12 -42.92 99.61 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.489 -0.757 . . . . 0.0 110.091 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.3 -30.35 63.33 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.407 -0.808 . . . . 0.0 110.403 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -60.03 -52.84 63.67 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.598 -0.688 . . . . 0.0 110.121 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.4 m -61.38 -40.15 93.26 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.47 -0.769 . . . . 0.0 110.012 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -44.11 90.67 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.59 -0.694 . . . . 0.0 110.129 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.438 HG22 HD12 ' A' ' 21' ' ' ILE . 22.9 mt -63.38 -30.42 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.568 -0.707 . . . . 0.0 110.327 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -50.03 75.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.411 -0.806 . . . . 0.0 109.717 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.45 -37.53 79.0 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -41.86 97.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.478 -1.013 . . . . 0.0 109.759 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -34.92 79.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.557 -0.715 . . . . 0.0 110.484 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -55.27 -45.04 76.13 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.37 -0.831 . . . . 0.0 109.958 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -84.04 -31.06 25.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.43 -0.794 . . . . 0.0 110.364 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.04 -44.3 80.54 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.561 -0.712 . . . . 0.0 110.522 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -62.28 -42.28 99.21 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.574 -0.704 . . . . 0.0 110.065 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -43.07 99.57 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.607 -0.683 . . . . 0.0 109.88 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -70.02 -32.9 71.3 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.542 -0.724 . . . . 0.0 110.107 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.85 -26.29 49.27 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.389 -0.819 . . . . 0.0 110.561 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.44 3.61 15.37 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.395 -0.815 . . . . 0.0 111.509 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -66.45 -26.69 67.32 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.931 -1.106 . . . . 0.0 110.746 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 34' ' ' ASP . 28.9 mt 61.08 81.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.646 -0.658 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.33 122.31 61.6 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.492 -0.755 . . . . 0.0 110.208 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -74.27 142.97 31.05 Favored 'Trans proline' 0 C--N 1.315 -1.222 0 O-C-N 123.833 1.438 . . . . 0.0 110.822 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.26 17.95 11.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.609 -0.682 . . . . 0.0 110.89 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -88.64 -29.27 20.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.943 . . . . 0.0 110.583 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 N--CA 1.502 2.17 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.762 -179.827 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 121.099 0.476 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -78.22 152.81 32.42 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.44 -0.788 . . . . 0.0 110.343 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -103.34 -26.93 12.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.556 -0.715 . . . . 0.0 110.532 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.5 -41.07 28.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.236 -0.915 . . . . 0.0 110.375 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.27 96.96 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.455 -0.778 . . . . 0.0 110.386 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -30.46 61.55 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.58 -0.7 . . . . 0.0 110.938 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.77 -49.19 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.343 -0.848 . . . . 0.0 109.916 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.16 -39.29 89.69 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.503 -0.748 . . . . 0.0 110.191 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.7 -31.07 62.12 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.506 -0.746 . . . . 0.0 110.931 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.53 -39.94 3.54 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -56.25 -41.16 75.32 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.489 -1.006 . . . . 0.0 110.859 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -58.08 -51.12 71.01 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.312 -0.868 . . . . 0.0 110.244 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.23 -39.18 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.465 -0.772 . . . . 0.0 109.731 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.88 73.69 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 0.0 110.263 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -44.16 78.51 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.401 -0.812 . . . . 0.0 109.974 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.0 mtt -60.96 -38.35 85.61 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 110.291 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.88 -35.09 79.23 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.424 -0.798 . . . . 0.0 110.359 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -44.71 69.75 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.44 -0.788 . . . . 0.0 110.234 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -61.9 -39.45 92.02 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.445 -0.785 . . . . 0.0 110.301 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.76 -39.91 91.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.543 -0.723 . . . . 0.0 110.494 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.458 HG22 HD12 ' A' ' 21' ' ' ILE . 44.8 mt -67.58 -33.95 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.461 -0.775 . . . . 0.0 110.189 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -46.44 83.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.543 -0.723 . . . . 0.0 110.263 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.53 -38.44 95.73 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -63.06 -42.49 99.72 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.477 -1.014 . . . . 0.0 110.185 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -41.95 96.74 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.504 -0.748 . . . . 0.0 110.315 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -40.79 88.63 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.413 -0.805 . . . . 0.0 109.99 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -71.89 -30.26 65.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.469 -0.769 . . . . 0.0 110.353 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.44 84.43 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.377 -0.827 . . . . 0.0 109.868 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -74.01 -44.46 54.44 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.633 -0.667 . . . . 0.0 109.947 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -35.8 79.84 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.428 -0.795 . . . . 0.0 110.349 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -18.56 64.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.437 -0.789 . . . . 0.0 110.655 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.42 -8.08 57.92 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.009 -1.057 . . . . 0.0 110.865 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.51 10.1 29.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.186 -0.946 . . . . 0.0 111.702 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.18 25.28 4.55 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.847 -1.158 . . . . 0.0 110.988 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mm -97.59 46.01 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 120.993 -1.067 . . . . 0.0 109.926 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -129.48 98.92 21.76 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.124 -0.985 . . . . 0.0 109.858 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -69.95 -18.27 36.23 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 O-C-N 123.965 1.508 . . . . 0.0 111.417 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.42 -34.11 77.03 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.262 -0.899 . . . . 0.0 110.381 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.3 mtp -80.5 -48.84 12.2 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.451 -0.781 . . . . 0.0 110.133 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.241 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 121.043 0.449 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -129.69 164.21 24.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.431 -0.793 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -45.53 92.06 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.53 -0.731 . . . . 0.0 109.921 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.18 91.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.599 -0.688 . . . . 0.0 110.084 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.61 85.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.546 -0.721 . . . . 0.0 110.22 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.48 -40.0 74.18 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.592 -0.692 . . . . 0.0 110.092 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.5 mt -71.0 -36.63 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.541 -0.724 . . . . 0.0 109.738 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.491 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 2.1 tt0 -61.29 -30.55 70.55 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.506 -0.746 . . . . 0.0 110.292 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -82.58 -42.85 17.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.399 -0.813 . . . . 0.0 110.362 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.07 -46.95 93.52 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.491 ' NE2' ' HA ' ' A' ' 8' ' ' GLU . 4.1 pt20 -57.17 -33.79 67.8 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.171 -1.193 . . . . 0.0 110.578 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -71.92 -39.91 69.14 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.37 -0.831 . . . . 0.0 109.951 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.8 mt -74.53 -46.77 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.775 . . . . 0.0 109.703 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.41 92.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.575 -0.703 . . . . 0.0 110.213 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.55 -44.29 97.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.429 -0.794 . . . . 0.0 109.779 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.7 mtm -63.77 -38.48 91.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.445 -0.785 . . . . 0.0 109.592 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.55 -35.18 75.41 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.66 -0.65 . . . . 0.0 109.682 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -59.69 -41.39 90.61 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -36.44 82.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.699 -0.626 . . . . 0.0 109.893 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -42.33 99.65 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.481 -0.762 . . . . 0.0 109.631 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -66.9 -33.22 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.635 -0.666 . . . . 0.0 109.893 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -44.85 92.7 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.621 -0.674 . . . . 0.0 109.79 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.66 -39.48 97.96 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.196 -1.561 . . . . 0.0 109.196 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -42.67 86.69 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.522 -0.987 . . . . 0.0 109.711 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -34.89 69.3 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.511 -0.743 . . . . 0.0 110.129 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -42.19 76.01 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.52 -0.737 . . . . 0.0 110.177 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -36.52 84.56 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.523 -0.735 . . . . 0.0 109.979 179.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.03 -31.49 72.06 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.716 -0.615 . . . . 0.0 109.885 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 t -62.68 -39.55 94.29 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.567 -0.708 . . . . 0.0 109.579 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -45.5 69.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.592 -0.692 . . . . 0.0 109.545 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -35.69 66.86 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.56 -0.712 . . . . 0.0 110.329 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.62 -30.08 67.73 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.409 -0.807 . . . . 0.0 110.318 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -102.54 8.4 39.89 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.464 -0.773 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.08 11.98 23.69 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.131 -0.981 . . . . 0.0 110.675 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.2 tt -154.2 60.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.303 -0.873 . . . . 0.0 110.079 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -123.23 161.38 45.48 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 121.138 -0.976 . . . . 0.0 110.198 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.81 97.72 0.92 Allowed 'Trans proline' 0 C--N 1.314 -1.266 0 O-C-N 123.88 1.463 . . . . 0.0 110.549 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.22 -41.17 20.63 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.519 -0.738 . . . . 0.0 110.216 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ttp -95.06 -49.27 5.61 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.444 -0.785 . . . . 0.0 110.185 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.133 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 120.951 0.405 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -133.05 158.01 43.81 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.507 -0.745 . . . . 0.0 110.222 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -45.81 92.78 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.459 -0.776 . . . . 0.0 110.139 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.88 95.42 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.438 -0.789 . . . . 0.0 109.943 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.31 93.16 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.579 -0.7 . . . . 0.0 109.77 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.25 -39.17 85.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.538 -0.726 . . . . 0.0 110.226 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.9 mt -68.93 -38.1 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.483 -0.761 . . . . 0.0 110.069 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -60.49 -46.5 89.87 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.457 -0.777 . . . . 0.0 110.209 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.12 -45.47 66.82 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.391 -0.818 . . . . 0.0 110.033 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.54 -40.15 98.32 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -61.28 -41.14 96.44 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.483 -1.01 . . . . 0.0 109.687 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -41.47 75.47 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.515 -0.741 . . . . 0.0 109.388 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.15 -40.92 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.626 -0.671 . . . . 0.0 109.247 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.78 76.77 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.551 -0.718 . . . . 0.0 110.186 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -47.18 82.38 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.39 -0.819 . . . . 0.0 109.526 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.5 tpp -72.88 -29.47 63.19 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.421 -0.799 . . . . 0.0 109.99 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.2 tp -57.75 -41.15 81.35 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.599 -0.688 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -61.48 -43.91 98.02 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.586 -0.696 . . . . 0.0 109.322 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 m -63.61 -38.16 90.08 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.685 -0.634 . . . . 0.0 109.542 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -63.13 -41.26 99.28 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.719 -0.613 . . . . 0.0 109.868 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.5 -36.35 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.549 -0.72 . . . . 0.0 109.879 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -69.91 -44.56 69.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.556 -0.715 . . . . 0.0 109.926 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.44 -43.48 98.69 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -41.1 92.85 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.605 -0.938 . . . . 0.0 110.013 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.57 -42.43 96.62 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.524 -0.735 . . . . 0.0 110.109 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.17 -39.73 94.62 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.446 -0.784 . . . . 0.0 109.846 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -40.28 95.48 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.518 -0.739 . . . . 0.0 110.135 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.1 99.43 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.722 -0.611 . . . . 0.0 110.233 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -64.73 -39.25 93.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.61 -0.681 . . . . 0.0 109.85 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -62.83 -43.04 99.85 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.653 -0.654 . . . . 0.0 109.987 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -65.04 -34.44 78.43 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.484 -0.76 . . . . 0.0 110.076 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.41 -40.47 91.1 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.395 -0.815 . . . . 0.0 109.172 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -31.96 70.77 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.813 -0.555 . . . . 0.0 109.971 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.86 -28.15 68.64 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.46 -0.775 . . . . 0.0 110.453 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.17 21.92 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.334 -0.854 . . . . 0.0 110.223 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -118.73 85.88 28.62 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.09 -1.006 . . . . 0.0 110.137 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.67 151.53 58.12 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.777 1.409 . . . . 0.0 110.547 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.67 -45.79 5.65 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.549 -0.719 . . . . 0.0 110.289 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.42 -25.95 46.2 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.483 -0.761 . . . . 0.0 110.655 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.232 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.107 0.48 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -134.16 155.57 49.88 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.34 -0.85 . . . . 0.0 110.448 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -56.75 -49.52 74.99 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.623 -0.673 . . . . 0.0 110.036 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.92 99.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.555 -0.715 . . . . 0.0 110.059 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -41.54 87.85 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.538 -0.726 . . . . 0.0 110.319 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -57.77 -32.35 67.42 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.522 -0.736 . . . . 0.0 110.128 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.1 mt -82.75 -35.52 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 109.809 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -58.82 -51.06 71.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.524 -0.735 . . . . 0.0 111.117 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.99 -26.45 60.17 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.422 -0.799 . . . . 0.0 111.068 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.7 -47.77 2.88 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -55.57 -38.67 69.65 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.495 -1.003 . . . . 0.0 111.135 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -45.4 93.49 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.377 -0.827 . . . . 0.0 110.489 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.74 -35.94 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.337 -0.852 . . . . 0.0 109.908 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.89 74.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.404 -0.81 . . . . 0.0 110.218 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.09 -44.99 95.46 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 110.262 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.5 mtm -66.84 -41.97 86.55 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.546 -0.721 . . . . 0.0 110.408 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.06 -26.97 61.48 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.458 -0.777 . . . . 0.0 110.615 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -58.58 -51.73 68.64 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.616 -0.677 . . . . 0.0 110.349 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -62.64 -33.47 75.1 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 110.439 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -47.56 72.09 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.366 -0.834 . . . . 0.0 110.343 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -65.35 -33.83 66.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.459 -0.776 . . . . 0.0 110.345 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -45.12 91.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.499 -0.751 . . . . 0.0 109.863 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.65 -38.54 93.31 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.3 -42.2 90.81 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.588 -0.948 . . . . 0.0 110.235 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.47 -39.22 88.67 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.54 -0.725 . . . . 0.0 109.986 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -32.54 72.64 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.438 -0.789 . . . . 0.0 109.98 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -84.04 -37.55 21.99 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.378 -0.826 . . . . 0.0 109.998 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.85 -32.62 73.26 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.708 -0.62 . . . . 0.0 110.735 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.5 p -59.74 -34.16 72.59 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.545 -0.722 . . . . 0.0 110.186 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.0 -35.52 76.77 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.482 -0.761 . . . . 0.0 109.96 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.61 -28.63 69.76 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.126 -0.984 . . . . 0.0 110.179 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.61 -44.06 8.38 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.469 -0.769 . . . . 0.0 111.603 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.07 15.64 25.03 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.104 -0.998 . . . . 0.0 112.036 -178.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.03 46.33 0.6 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.986 -1.072 . . . . 0.0 110.356 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -21.36 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.294 -0.879 . . . . 0.0 110.792 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -113.47 90.3 17.15 Favored Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.298 -0.876 . . . . 0.0 109.471 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.83 106.33 1.83 Allowed 'Trans proline' 0 C--N 1.314 -1.255 0 O-C-N 123.715 1.376 . . . . 0.0 110.7 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.85 -10.01 59.66 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.559 -0.713 . . . . 0.0 110.952 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.0 mtm -89.15 -54.09 4.27 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.212 -0.93 . . . . 0.0 110.186 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.152 0.501 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.64 113.84 15.91 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.451 -0.781 . . . . 0.0 109.953 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -107.91 -52.48 2.76 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.56 -0.712 . . . . 0.0 110.395 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.55 86.33 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.586 -0.696 . . . . 0.0 110.164 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -35.31 78.35 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.627 -0.671 . . . . 0.0 110.312 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.65 -43.35 89.79 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.583 -0.698 . . . . 0.0 110.289 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt -73.23 -34.12 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.29 -0.881 . . . . 0.0 109.882 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.32 -47.93 80.29 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.536 -0.727 . . . . 0.0 110.538 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.93 -40.5 75.48 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.42 -0.8 . . . . 0.0 110.295 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.14 -42.55 97.16 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -62.8 -44.69 95.51 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.596 -0.943 . . . . 0.0 109.779 179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -43.47 97.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.57 -0.706 . . . . 0.0 109.451 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -66.26 -40.96 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.662 -0.649 . . . . 0.0 109.402 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.44 -42.42 70.55 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.634 -0.667 . . . . 0.0 109.928 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.64 -43.61 84.18 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.461 -0.775 . . . . 0.0 109.548 178.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 tpt -58.98 -39.13 80.84 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.688 -0.633 . . . . 0.0 110.237 179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -42.8 96.01 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.586 -0.696 . . . . 0.0 110.131 179.65 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -60.24 -44.18 95.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.761 -0.587 . . . . 0.0 110.132 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t -65.94 -36.01 82.19 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.48 -0.763 . . . . 0.0 110.402 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -62.33 -47.37 84.54 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.361 -0.837 . . . . 0.0 110.491 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.422 ' HA ' HD13 ' A' ' 24' ' ' LEU . 1.1 mp -62.45 -35.76 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.478 -0.764 . . . . 0.0 110.169 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -67.79 -42.82 81.04 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.598 -0.689 . . . . 0.0 109.884 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.29 96.92 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 21' ' ' ILE . 25.3 mt -61.58 -40.84 96.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.605 -0.938 . . . . 0.0 109.922 179.264 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.76 -40.17 94.23 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.671 -0.643 . . . . 0.0 109.852 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -30.06 65.07 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.482 -0.761 . . . . 0.0 110.206 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -61.49 -49.92 74.82 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.323 -0.86 . . . . 0.0 109.76 179.378 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.85 94.67 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.657 -0.652 . . . . 0.0 109.793 179.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.0 t -67.77 -30.71 70.23 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.727 -0.608 . . . . 0.0 110.244 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -46.76 82.53 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.492 -0.755 . . . . 0.0 110.194 179.731 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -38.54 88.21 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.548 -0.72 . . . . 0.0 109.784 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.0 -33.74 70.68 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.615 -0.678 . . . . 0.0 109.992 179.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.424 ' HA ' ' HB2' ' A' ' 36' ' ' GLN . 45.2 mt-30 -73.99 -28.16 61.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.407 -0.808 . . . . 0.0 110.6 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -44.33 79.08 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.538 -0.726 . . . . 0.0 110.889 -179.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.2 tt -110.6 35.05 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.317 -0.864 . . . . 0.0 110.579 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.424 ' HB2' ' HA ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -92.69 124.2 59.52 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.067 -1.021 . . . . 0.0 110.39 179.808 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.63 135.43 19.81 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.846 1.445 . . . . 0.0 110.489 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.61 -45.95 7.49 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.503 -0.748 . . . . 0.0 110.291 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.79 -17.91 19.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.605 -0.685 . . . . 0.0 110.746 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 117.789 -1.101 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.162 0.506 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -137.38 164.69 28.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -0.788 . . . . 0.0 110.094 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -46.62 90.02 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.514 -0.741 . . . . 0.0 110.339 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.02 -36.69 59.02 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.448 -0.783 . . . . 0.0 110.386 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.35 -40.43 86.39 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.56 -0.713 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.8 -46.28 87.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.469 -0.769 . . . . 0.0 110.661 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -62.02 -39.57 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.481 -0.762 . . . . 0.0 110.537 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.73 -33.87 52.8 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.227 -0.921 . . . . 0.0 110.425 179.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.34 -45.51 72.72 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.443 -0.785 . . . . 0.0 110.631 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.42 -47.68 41.56 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 1.1 tt0 -60.74 -31.06 70.4 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.41 -1.053 . . . . 0.0 110.43 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.26 72.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.178 -0.951 . . . . 0.0 110.636 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 66.2 mt -92.28 -58.14 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.349 -0.845 . . . . 0.0 110.882 -179.712 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.83 -51.06 62.35 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.452 -0.78 . . . . 0.0 111.686 -178.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 11' ' ' GLN . 2.4 tt0 -63.42 -49.7 72.69 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.23 -0.919 . . . . 0.0 110.645 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -41.46 98.89 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.328 -0.858 . . . . 0.0 110.8 -179.858 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 2.0 mm? -63.01 -32.2 73.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.221 -0.924 . . . . 0.0 110.504 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -49.74 76.46 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.519 -0.738 . . . . 0.0 109.832 179.563 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -73.95 -33.32 63.86 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.94 179.166 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -60.91 -37.2 81.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.554 -0.716 . . . . 0.0 110.28 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -36.37 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.496 -0.753 . . . . 0.0 109.977 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.08 -41.69 67.05 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.519 -0.738 . . . . 0.0 110.034 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.99 -44.54 88.43 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.26 -40.88 82.99 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.613 -0.933 . . . . 0.0 110.199 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.94 -34.9 79.17 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.494 -0.754 . . . . 0.0 110.291 179.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -36.73 83.62 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.367 -0.833 . . . . 0.0 110.272 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -85.16 -28.1 25.74 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.352 -0.842 . . . . 0.0 110.505 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.86 8.8 16.17 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.528 -0.733 . . . . 0.0 111.426 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.4 p -88.8 -59.36 2.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.932 -1.105 . . . . 0.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -66.88 -42.29 85.81 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.39 -0.819 . . . . 0.0 110.575 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -34.73 74.03 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.467 -0.77 . . . . 0.0 110.228 179.654 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.32 58.07 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.385 -0.822 . . . . 0.0 110.392 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -19.12 62.54 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.377 -0.827 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -74.3 0.07 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.352 -0.842 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.2 tt -175.62 -43.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.542 -0.724 . . . . 0.0 110.546 179.592 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -150.6 149.8 26.93 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.487 -0.758 . . . . 0.0 110.658 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.4 172.15 16.24 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 O-C-N 123.82 1.431 . . . . 0.0 110.277 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.41 20.44 13.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.359 -0.838 . . . . 0.0 111.174 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.37 19.02 18.58 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.047 -1.033 . . . . 0.0 110.839 179.835 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.063 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.114 0.483 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 m -134.82 107.02 7.16 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.417 -0.802 . . . . 0.0 110.273 -179.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.69 -53.96 2.54 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.517 -0.739 . . . . 0.0 110.394 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.08 -46.22 91.54 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.459 -0.776 . . . . 0.0 110.449 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.17 -33.77 71.32 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.664 -0.648 . . . . 0.0 110.689 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.82 -46.1 81.88 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.456 -0.778 . . . . 0.0 110.246 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mt -73.76 -36.29 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.438 -0.789 . . . . 0.0 109.741 179.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.08 -38.54 86.61 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.467 -0.77 . . . . 0.0 110.607 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.35 -36.9 79.07 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.439 -0.788 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.93 20.87 45.98 Favored Glycine 0 N--CA 1.494 2.539 0 C-N-CA 120.107 -1.044 . . . . 0.0 110.563 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -55.88 3.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.033 -1.275 . . . . 0.0 109.843 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -21.09 30.99 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.626 -0.672 . . . . 0.0 110.437 179.45 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.406 HG21 HD12 ' A' ' 13' ' ' ILE . 34.6 mm -79.94 -31.67 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.277 -0.889 . . . . 0.0 110.231 179.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.11 -51.68 67.04 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.401 -0.812 . . . . 0.0 110.3 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -43.9 94.16 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.615 -0.678 . . . . 0.0 109.936 179.55 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -35.32 78.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.396 -0.815 . . . . 0.0 109.737 179.005 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.5 tp -68.52 -32.5 72.5 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.506 -0.746 . . . . 0.0 109.92 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -47.92 84.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.544 -0.723 . . . . 0.0 109.862 179.212 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 p -74.75 -34.81 62.58 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.546 -0.721 . . . . 0.0 109.631 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -65.05 -43.4 92.44 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.508 -0.745 . . . . 0.0 109.97 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.7 mm -63.02 -33.96 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.509 -0.745 . . . . 0.0 109.915 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -64.12 -42.79 96.72 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.511 -0.743 . . . . 0.0 109.62 179.18 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.91 -37.79 93.62 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.191 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -30.96 61.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.463 -1.022 . . . . 0.0 110.089 179.277 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 -18.04 63.76 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.476 -0.765 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.87 -49.48 59.08 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.194 -0.941 . . . . 0.0 110.166 179.721 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -76.58 -37.21 56.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.186 -0.946 . . . . 0.0 110.17 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.16 -24.47 64.98 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.611 -0.681 . . . . 0.0 111.059 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 p -60.64 -35.31 75.88 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.356 -0.84 . . . . 0.0 110.434 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -39.69 94.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.283 -0.886 . . . . 0.0 109.851 179.232 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -70.09 -33.19 71.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.498 -0.751 . . . . 0.0 109.938 179.219 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.457 ' HA ' ' HB3' ' A' ' 36' ' ' GLN . . . -77.72 -29.93 51.5 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.401 -0.812 . . . . 0.0 110.602 179.629 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -59.19 -29.68 67.64 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.261 -0.899 . . . . 0.0 110.696 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.72 -59.98 4.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.459 -0.776 . . . . 0.0 111.025 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 35' ' ' ILE . 9.7 tp -149.86 28.41 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.237 -0.915 . . . . 0.0 111.279 -179.35 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -125.75 86.03 58.16 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.05 -1.031 . . . . 0.0 109.926 179.73 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.32 101.06 1.2 Allowed 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.878 1.462 . . . . 0.0 110.696 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -104.63 -44.0 4.99 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.444 -0.785 . . . . 0.0 110.178 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.9 mtt -99.74 -45.68 5.67 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.465 -0.772 . . . . 0.0 110.009 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.234 179.745 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 121.084 0.468 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.45 142.22 31.12 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.489 -0.757 . . . . 0.0 110.274 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -11.18 59.91 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 111.173 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.513 ' HA ' HD13 ' A' ' 7' ' ' ILE . . . -52.5 -42.83 64.63 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.297 -0.877 . . . . 0.0 110.674 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.61 93.29 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.47 -0.769 . . . . 0.0 110.036 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tt -66.72 -32.46 73.78 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.486 -0.759 . . . . 0.0 110.402 179.581 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 4' ' ' ALA . 53.4 mt -68.76 -39.54 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.181 -0.949 . . . . 0.0 109.719 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -72.18 -51.67 20.12 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.448 -0.783 . . . . 0.0 109.538 179.325 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -68.11 -27.9 66.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.471 -0.768 . . . . 0.0 110.133 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.0 -29.41 62.18 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -57.07 -33.99 67.82 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.159 -1.201 . . . . 0.0 110.264 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -81.14 -41.96 21.64 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.322 -0.861 . . . . 0.0 109.501 179.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.5 mt -64.07 -39.02 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.645 -0.66 . . . . 0.0 109.689 179.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.91 94.78 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.575 -0.703 . . . . 0.0 110.301 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.61 -41.8 95.95 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.43 -0.794 . . . . 0.0 109.992 179.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -46.46 77.8 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.49 -0.756 . . . . 0.0 109.569 179.395 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.7 -37.78 88.63 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.543 -0.723 . . . . 0.0 109.794 179.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -58.56 -41.32 85.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.719 -0.613 . . . . 0.0 109.836 179.231 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t -62.52 -41.86 99.14 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.537 -0.727 . . . . 0.0 109.774 179.221 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -40.33 89.9 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.586 -0.696 . . . . 0.0 109.758 179.155 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.37 -36.35 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.548 -0.72 . . . . 0.0 109.635 179.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.88 85.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.771 -0.581 . . . . 0.0 109.961 179.24 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.32 -43.14 99.75 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.66 -28.37 68.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.602 -0.94 . . . . 0.0 109.887 178.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -38.65 71.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.593 -0.692 . . . . 0.0 110.302 179.555 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -44.42 96.16 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.409 -0.807 . . . . 0.0 109.749 179.244 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -66.44 -33.25 75.28 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.464 -0.772 . . . . 0.0 110.178 179.307 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.07 -29.76 39.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.557 -0.714 . . . . 0.0 110.434 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.57 -12.09 60.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.458 -0.776 . . . . 0.0 110.995 179.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -51.54 -45.26 62.94 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.236 -0.915 . . . . 0.0 110.408 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -34.53 24.62 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.57 -0.706 . . . . 0.0 110.112 179.336 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.41 -18.91 63.03 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.575 -0.703 . . . . 0.0 111.348 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -62.17 -51.72 66.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.106 -0.996 . . . . 0.0 110.896 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.06 40.22 0.54 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.422 -0.798 . . . . 0.0 110.707 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mt 52.57 69.03 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.569 -0.707 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.42 130.06 89.58 Favored Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.426 -0.796 . . . . 0.0 110.419 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -75.69 84.02 1.83 Allowed 'Trans proline' 0 C--N 1.315 -1.187 0 O-C-N 123.979 1.515 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.3 -44.81 11.81 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.418 -0.801 . . . . 0.0 110.508 -179.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.1 mmt -100.43 -52.81 3.26 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.386 -0.821 . . . . 0.0 109.911 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 117.892 -1.051 . . . . 0.0 110.143 179.715 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.031 0.443 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -146.52 148.4 32.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.414 -0.804 . . . . 0.0 110.245 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -84.57 -4.18 58.84 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.45 -0.781 . . . . 0.0 110.925 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.13 76.32 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.242 -0.911 . . . . 0.0 110.068 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.41 77.97 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.53 -0.731 . . . . 0.0 110.045 179.261 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.15 -39.38 86.17 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.356 -0.84 . . . . 0.0 110.052 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 mt -75.0 -35.16 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.384 -0.822 . . . . 0.0 109.78 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.32 -38.91 91.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.454 -0.779 . . . . 0.0 110.192 179.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.4 -31.59 62.39 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.343 -0.848 . . . . 0.0 110.46 179.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.34 -33.14 52.58 Favored Glycine 0 N--CA 1.497 2.732 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -57.24 -47.41 81.45 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.542 -0.975 . . . . 0.0 110.088 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -68.68 -42.98 77.08 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.503 -0.748 . . . . 0.0 110.128 179.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.3 mt -63.03 -44.95 99.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.413 -0.804 . . . . 0.0 109.677 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.21 81.26 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.541 -0.724 . . . . 0.0 110.175 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.45 -46.52 86.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.386 -0.821 . . . . 0.0 109.814 179.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 tpt -68.82 -36.07 77.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.558 -0.714 . . . . 0.0 109.606 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.06 -19.39 61.84 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.633 -0.667 . . . . 0.0 110.549 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -56.24 -48.22 76.94 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.576 -0.703 . . . . 0.0 110.181 179.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -64.41 -39.44 93.85 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.57 -0.706 . . . . 0.0 110.099 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -60.51 -39.73 88.85 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.465 -0.772 . . . . 0.0 109.984 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 mt -68.51 -35.18 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.448 -0.783 . . . . 0.0 109.77 179.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 2.1 tp60 -65.66 -31.45 72.47 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.765 -0.584 . . . . 0.0 110.583 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.21 -48.57 67.86 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.67 -30.09 61.47 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.465 -1.02 . . . . 0.0 110.022 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 22' ' ' GLN . 16.3 mt -67.16 -27.0 66.93 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.495 -0.753 . . . . 0.0 110.611 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -37.97 62.82 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.39 -0.819 . . . . 0.0 110.828 -179.846 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -84.7 -35.39 22.57 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.319 -0.863 . . . . 0.0 110.739 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.36 -32.49 60.86 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.541 -0.724 . . . . 0.0 111.121 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.5 p -63.64 -44.81 92.76 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.371 -0.83 . . . . 0.0 110.595 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -68.78 -28.77 67.07 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.39 -0.819 . . . . 0.0 110.806 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -42.74 99.4 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.117 -0.989 . . . . 0.0 110.35 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.454 ' HA ' HD11 ' A' ' 35' ' ' ILE . . . -93.82 -19.53 20.93 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.413 -0.805 . . . . 0.0 111.537 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -96.9 -34.02 11.4 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.017 -1.052 . . . . 0.0 111.425 -179.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -100.87 54.44 0.85 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.217 -0.927 . . . . 0.0 110.744 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 32' ' ' ALA . 48.4 mt -92.87 18.42 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.248 -0.907 . . . . 0.0 110.28 179.259 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -146.16 67.19 11.88 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 121.096 -1.002 . . . . 0.0 110.552 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.42 135.87 23.01 Favored 'Trans proline' 0 C--N 1.314 -1.252 0 O-C-N 123.714 1.376 . . . . 0.0 110.603 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.9 20.68 17.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.597 -0.689 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmm -82.64 -37.62 24.65 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.205 -0.935 . . . . 0.0 110.382 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.135 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.019 0.438 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -122.64 114.94 21.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.561 -0.712 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -73.6 -22.04 60.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.502 -0.749 . . . . 0.0 110.933 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.09 -50.5 69.02 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.367 -0.833 . . . . 0.0 110.435 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.77 -36.84 67.74 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.396 -0.815 . . . . 0.0 110.186 179.535 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tt -56.05 -36.19 67.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.691 -0.631 . . . . 0.0 110.546 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.1 mm -82.82 -44.91 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.292 -0.88 . . . . 0.0 110.03 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -58.35 -54.6 45.21 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.551 -0.718 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.89 -34.08 51.68 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.449 -0.782 . . . . 0.0 110.268 179.527 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.05 -29.8 71.89 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -55.22 -41.92 72.69 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.213 -1.169 . . . . 0.0 110.647 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.3 -39.21 48.74 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.431 -0.793 . . . . 0.0 110.322 179.653 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -70.09 -35.26 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.426 -0.796 . . . . 0.0 110.197 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.6 82.53 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.528 -0.732 . . . . 0.0 110.422 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -41.37 96.72 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.561 -0.712 . . . . 0.0 109.657 179.326 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 ttm -72.67 -36.94 68.04 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.474 -0.766 . . . . 0.0 109.989 179.105 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -29.72 70.6 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.401 -0.812 . . . . 0.0 110.458 179.658 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -44.62 87.7 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.607 -0.683 . . . . 0.0 109.327 179.286 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -73.07 -34.27 66.14 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.655 -0.653 . . . . 0.0 109.319 178.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -61.51 -39.39 90.83 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.668 -0.645 . . . . 0.0 109.706 179.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.99 -34.88 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.528 -0.733 . . . . 0.0 109.922 179.298 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -62.39 -49.78 74.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.589 -0.694 . . . . 0.0 109.776 179.514 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.42 99.87 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.09 -44.79 87.8 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.631 -0.923 . . . . 0.0 110.084 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.95 -40.49 89.19 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 0.0 109.935 179.339 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -42.8 97.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.655 -0.653 . . . . 0.0 109.665 179.246 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -63.61 -38.01 89.48 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.532 -0.73 . . . . 0.0 110.211 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.07 81.83 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.805 -0.56 . . . . 0.0 110.093 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 m -75.57 -34.3 60.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.574 -0.704 . . . . 0.0 109.962 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -54.29 -56.54 17.46 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.596 -0.69 . . . . 0.0 110.363 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.94 -32.15 73.72 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.398 -0.814 . . . . 0.0 110.616 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.91 -33.89 76.87 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.317 -0.864 . . . . 0.0 110.442 179.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -20.47 61.76 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.403 -0.811 . . . . 0.0 110.472 179.711 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -91.36 -78.48 0.39 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.304 -0.872 . . . . 0.0 110.157 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.2 mm 49.37 42.28 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.452 -0.78 . . . . 0.0 110.48 -179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -146.96 163.25 29.66 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.292 -0.88 . . . . 0.0 110.458 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.07 98.98 1.05 Allowed 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.693 1.365 . . . . 0.0 110.142 179.671 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.01 -14.14 60.97 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.424 -0.797 . . . . 0.0 111.193 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -45.88 18.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.1 -1.0 . . . . 0.0 110.169 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.072 0.463 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.96 142.98 34.56 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.413 -0.804 . . . . 0.0 110.243 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.73 3.28 44.89 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.547 -0.72 . . . . 0.0 111.074 179.772 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.67 -33.73 76.64 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.115 -0.991 . . . . 0.0 110.546 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.04 -36.83 68.45 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.514 -0.742 . . . . 0.0 110.495 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -39.01 92.64 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.363 -0.835 . . . . 0.0 110.005 179.398 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 mt -69.01 -34.57 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.54 -0.725 . . . . 0.0 109.87 179.237 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -61.35 -39.03 89.08 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.471 -0.768 . . . . 0.0 110.024 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.51 -19.22 46.31 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.26 -0.9 . . . . 0.0 110.569 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.56 -15.61 73.28 Favored Glycine 0 N--CA 1.493 2.492 0 O-C-N 121.264 -0.898 . . . . 0.0 111.209 -179.694 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -56.28 -38.79 71.67 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.857 -1.378 . . . . 0.0 111.025 -179.554 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttp-105 -84.86 -35.64 22.1 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.137 -0.977 . . . . 0.0 109.931 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.11 -36.13 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.467 -0.77 . . . . 0.0 110.275 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.93 83.54 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.438 -0.789 . . . . 0.0 110.544 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -43.28 90.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.457 -0.777 . . . . 0.0 110.143 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.7 ttp -68.0 -35.88 79.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.483 -0.761 . . . . 0.0 110.326 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 tp -75.72 -25.22 56.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.278 -0.888 . . . . 0.0 110.426 179.586 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -59.88 -49.64 76.89 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.507 -0.745 . . . . 0.0 110.261 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.2 p -64.67 -35.06 79.8 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.484 -0.76 . . . . 0.0 110.217 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -63.85 -47.92 78.82 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.508 -0.745 . . . . 0.0 110.155 179.586 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.28 -33.25 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.416 -0.803 . . . . 0.0 110.061 179.639 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -62.0 -48.95 78.01 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.493 -0.754 . . . . 0.0 109.755 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.25 93.16 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.149 -1.581 . . . . 0.0 109.149 178.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.41 -40.63 97.73 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.62 -0.93 . . . . 0.0 109.926 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -41.06 91.38 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.56 -0.713 . . . . 0.0 110.139 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.4 -42.06 98.78 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.488 -0.757 . . . . 0.0 110.264 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -66.82 -36.03 81.43 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.442 -0.786 . . . . 0.0 110.082 179.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.33 99.21 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.678 -0.639 . . . . 0.0 109.94 179.253 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 t -63.2 -39.49 94.77 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.684 -0.635 . . . . 0.0 109.826 179.218 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -38.8 62.58 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.522 -0.736 . . . . 0.0 109.942 179.47 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -38.05 83.86 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.509 -0.744 . . . . 0.0 110.218 179.58 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.84 -33.97 66.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.431 -0.793 . . . . 0.0 110.247 179.54 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -104.09 31.73 4.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.454 -0.778 . . . . 0.0 110.54 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.494 ' HB3' HD11 ' A' ' 35' ' ' ILE . 3.9 t70 -84.17 -39.39 19.46 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.295 -0.878 . . . . 0.0 111.166 -179.273 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.494 HD11 ' HB3' ' A' ' 34' ' ' ASP . 3.2 mp -121.45 -74.59 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.226 -0.921 . . . . 0.0 110.511 -179.652 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -147.02 132.25 9.07 Favored Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 121.304 -0.872 . . . . 0.0 110.436 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.72 -166.53 0.4 Allowed 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 123.947 1.498 . . . . 0.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.55 -38.75 12.31 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.31 -0.869 . . . . 0.0 110.929 -179.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.0 mtm -73.73 -62.75 1.39 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.385 -0.822 . . . . 0.0 110.429 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.422 -0.799 . . . . 0.0 110.053 -179.955 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.086 0.47 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 p -133.13 113.88 13.24 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.42 -0.8 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -108.04 -51.16 2.94 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.471 -0.768 . . . . 0.0 110.36 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.69 -45.42 52.54 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.421 -0.799 . . . . 0.0 110.518 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.8 -25.62 68.33 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.452 -0.78 . . . . 0.0 110.753 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -32.23 69.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.516 -0.74 . . . . 0.0 110.677 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.6 mt -77.61 -37.27 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -0.891 . . . . 0.0 110.077 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -83.01 -63.09 1.43 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.492 -0.755 . . . . 0.0 110.395 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.67 -36.49 84.45 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.351 -0.843 . . . . 0.0 110.395 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.7 -32.72 74.88 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.64 -40.66 88.38 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.324 -1.103 . . . . 0.0 109.871 179.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -79.94 -41.52 25.86 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.556 -0.715 . . . . 0.0 110.005 179.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.13 -38.09 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.494 -0.754 . . . . 0.0 110.224 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.2 -38.21 68.1 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.503 -0.748 . . . . 0.0 110.49 179.515 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.47 -41.26 66.25 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.443 -0.786 . . . . 0.0 110.042 179.353 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -45.64 78.3 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.343 -0.848 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -24.39 64.73 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.475 -0.766 . . . . 0.0 110.285 179.651 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -44.08 84.4 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.671 -0.643 . . . . 0.0 110.163 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -63.43 -39.3 94.11 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.559 -0.713 . . . . 0.0 110.033 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -40.48 94.87 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.453 -0.78 . . . . 0.0 109.946 179.527 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 mt -72.87 -32.44 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.478 -0.764 . . . . 0.0 110.267 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -60.68 -47.27 86.99 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.529 -0.732 . . . . 0.0 109.972 179.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.65 -42.99 98.55 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.09 -40.15 94.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.67 -0.9 . . . . 0.0 109.902 179.199 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.73 -39.41 93.59 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.563 -0.71 . . . . 0.0 110.132 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -40.72 96.77 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.507 -0.746 . . . . 0.0 110.158 179.543 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -60.49 -43.66 96.75 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.531 -0.731 . . . . 0.0 109.798 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.35 -42.02 72.41 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-O 121.3 0.571 . . . . 0.0 109.877 179.2 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 m -64.57 -42.94 95.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.688 -0.633 . . . . 0.0 109.823 179.331 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -59.04 -39.61 82.54 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.614 -0.679 . . . . 0.0 110.017 179.368 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -53.24 -35.89 60.47 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.46 -0.775 . . . . 0.0 110.253 179.387 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.08 -23.94 19.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.469 -0.769 . . . . 0.0 110.705 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.04 31.01 5.66 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.236 -0.915 . . . . 0.0 111.181 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -155.61 51.73 0.57 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.09 -1.006 . . . . 0.0 110.418 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 mt -115.4 50.83 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.276 -0.89 . . . . 0.0 109.616 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -145.34 68.4 13.54 Favored Pre-proline 0 N--CA 1.498 1.949 0 O-C-N 121.311 -0.868 . . . . 0.0 110.484 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -75.02 88.92 1.2 Allowed 'Trans proline' 0 C--N 1.315 -1.193 0 O-C-N 123.825 1.434 . . . . 0.0 110.485 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.02 -45.5 9.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.382 -0.824 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.4 mmt -100.09 -51.53 3.66 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.487 -0.758 . . . . 0.0 109.861 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.163 179.721 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 121.106 0.479 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.45 131.31 35.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.544 -0.722 . . . . 0.0 110.016 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -55.8 -45.77 78.17 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.637 -0.664 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.39 76.17 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.5 -0.75 . . . . 0.0 110.247 179.582 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.75 -25.15 66.36 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.458 -0.777 . . . . 0.0 111.024 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -46.39 89.69 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.18 -0.95 . . . . 0.0 110.233 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.35 -45.67 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.378 -0.826 . . . . 0.0 109.66 179.471 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -45.9 83.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.426 -0.796 . . . . 0.0 109.812 179.378 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.9 -41.17 91.06 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.553 -0.717 . . . . 0.0 109.972 179.286 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.14 -41.46 94.94 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -57.38 -40.09 77.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.523 -0.987 . . . . 0.0 110.224 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -46.14 73.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.526 -0.733 . . . . 0.0 110.132 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.6 mt -71.66 -36.54 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.37 -0.831 . . . . 0.0 110.309 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.58 -48.36 74.94 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -0.796 . . . . 0.0 110.603 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.7 -43.38 80.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.43 -0.794 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 43.9 mmm -61.38 -36.27 79.8 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.53 -0.731 . . . . 0.0 110.158 179.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.28 -33.26 65.13 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.524 -0.735 . . . . 0.0 110.499 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -43.82 98.3 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.571 -0.706 . . . . 0.0 110.43 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -72.26 -35.16 68.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.332 -0.855 . . . . 0.0 110.101 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -62.25 -47.13 85.72 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.494 -0.754 . . . . 0.0 110.114 179.415 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 21' ' ' ILE . 21.0 mm -61.98 -33.75 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.434 -0.791 . . . . 0.0 110.108 179.44 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -40.81 87.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.672 -0.643 . . . . 0.0 109.972 179.348 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.84 -41.55 97.45 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -50.75 71.5 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.597 -0.943 . . . . 0.0 110.027 179.523 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.28 -41.85 99.04 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.579 -0.701 . . . . 0.0 109.951 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -39.21 93.83 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.446 -0.784 . . . . 0.0 110.023 179.4 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -65.86 -30.49 71.1 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.408 -0.808 . . . . 0.0 110.082 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.04 -30.83 69.45 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.619 -0.676 . . . . 0.0 109.818 179.076 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 t -94.25 -38.08 11.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.744 -0.597 . . . . 0.0 109.892 179.196 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -34.33 73.49 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.47 -0.769 . . . . 0.0 111.462 -179.541 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -54.7 -19.69 6.74 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.187 -0.946 . . . . 0.0 111.827 -179.546 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.12 -33.32 14.8 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.974 -1.079 . . . . 0.0 110.52 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -107.39 32.04 4.96 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.367 -0.833 . . . . 0.0 111.354 -179.537 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -108.22 40.85 1.67 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.108 -0.995 . . . . 0.0 110.603 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.0 tp -106.35 37.97 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.171 -0.956 . . . . 0.0 110.882 -179.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.26 143.06 40.04 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.085 -1.009 . . . . 0.0 110.221 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.69 95.15 0.87 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.889 1.468 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.55 -49.51 5.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.499 -0.751 . . . . 0.0 110.08 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -95.3 -53.46 3.76 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.455 -0.778 . . . . 0.0 110.014 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.074 179.757 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 121.105 0.479 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.72 158.3 15.57 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.394 -0.816 . . . . 0.0 110.189 179.847 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -50.91 69.17 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.421 -0.799 . . . . 0.0 109.813 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.47 83.58 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.578 -0.701 . . . . 0.0 110.354 179.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.4 96.78 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.43 -0.794 . . . . 0.0 110.131 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.79 -38.72 86.3 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.634 -0.666 . . . . 0.0 110.291 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 7' ' ' ILE . 36.7 mm -72.41 -44.12 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.468 -0.77 . . . . 0.0 109.792 179.673 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -64.58 -48.9 73.26 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.453 -0.78 . . . . 0.0 110.087 179.593 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.91 -36.9 75.73 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.384 -0.823 . . . . 0.0 110.07 179.403 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.35 -45.15 95.91 Favored Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -43.84 98.07 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.462 -1.023 . . . . 0.0 109.702 179.422 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -47.44 77.68 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.47 -0.769 . . . . 0.0 109.594 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.41 -42.39 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.625 -0.672 . . . . 0.0 109.635 179.246 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.66 91.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.493 -0.754 . . . . 0.0 110.527 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.53 -41.64 94.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.428 -0.795 . . . . 0.0 110.437 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.33 -32.94 74.85 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.419 -0.801 . . . . 0.0 110.084 179.404 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.61 -25.41 53.85 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.384 -0.822 . . . . 0.0 110.7 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -45.72 89.66 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.476 -0.765 . . . . 0.0 110.243 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -67.25 -32.55 73.64 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.529 -0.732 . . . . 0.0 110.041 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -64.53 -40.07 94.92 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.36 -0.838 . . . . 0.0 110.108 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mp -74.93 -26.37 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.468 -0.77 . . . . 0.0 109.913 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.87 -46.98 78.12 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.558 -0.714 . . . . 0.0 110.431 179.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.72 95.61 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.29 -41.07 86.04 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.474 -1.015 . . . . 0.0 109.827 179.273 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -30.18 70.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.761 -0.587 . . . . 0.0 110.657 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -45.92 80.45 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.331 -0.855 . . . . 0.0 110.39 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -75.16 -38.0 61.09 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.506 -0.746 . . . . 0.0 109.963 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -36.45 83.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.613 -0.679 . . . . 0.0 110.268 179.397 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 t -58.28 -42.55 86.82 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.681 -0.637 . . . . 0.0 109.958 179.548 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.01 -34.93 69.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.622 -0.674 . . . . 0.0 110.231 179.37 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.16 -32.47 71.08 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.484 -0.76 . . . . 0.0 110.606 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.57 -1.08 57.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.322 -0.862 . . . . 0.0 111.414 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -102.52 30.29 4.72 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.926 -1.109 . . . . 0.0 111.183 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -100.39 -31.19 11.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.068 -1.02 . . . . 0.0 110.464 179.496 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.7 mm -107.42 49.52 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.258 -0.901 . . . . 0.0 109.145 178.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -90.83 148.25 37.86 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.236 -0.915 . . . . 0.0 110.529 -179.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -74.24 111.32 3.28 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 O-C-N 123.873 1.46 . . . . 0.0 110.508 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.6 -42.71 10.63 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.523 -0.736 . . . . 0.0 110.076 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.4 ptm -99.2 19.66 14.93 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.508 -0.745 . . . . 0.0 110.644 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.227 -179.928 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 121.059 0.457 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -150.42 165.05 34.31 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.417 -0.802 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -60.17 -49.23 78.44 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.469 -0.769 . . . . 0.0 110.165 179.715 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.88 96.05 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.578 -0.701 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.77 90.22 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.599 -0.688 . . . . 0.0 110.471 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -59.38 -47.7 84.45 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.468 -0.77 . . . . 0.0 110.188 179.615 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.13 -37.11 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.513 -0.742 . . . . 0.0 109.837 179.463 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.81 -44.03 97.68 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.497 -0.752 . . . . 0.0 110.091 179.405 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.2 -46.02 88.98 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.451 -0.781 . . . . 0.0 109.907 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.99 -41.47 97.29 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.511 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -58.39 -36.36 73.42 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.578 -0.954 . . . . 0.0 110.484 179.525 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -63.88 -44.65 92.4 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.394 -0.816 . . . . 0.0 110.218 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.8 mt -80.32 -44.01 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.452 -0.78 . . . . 0.0 110.315 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 18' ' ' LYS . . . -60.81 -46.19 91.5 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.325 -0.859 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.08 -47.04 69.35 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.374 -0.829 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 ttm -63.73 -34.9 78.92 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.38 -0.825 . . . . 0.0 110.468 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tp -81.02 -31.09 34.76 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.326 -0.859 . . . . 0.0 110.116 179.485 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 20.3 tptt -55.6 -45.43 77.47 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.588 -0.695 . . . . 0.0 110.629 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.0 p -61.86 -38.14 87.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.384 -0.822 . . . . 0.0 110.359 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -68.66 -40.88 79.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.434 -0.791 . . . . 0.0 110.338 179.68 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.6 mm -66.31 -30.95 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.35 -0.844 . . . . 0.0 110.185 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -50.35 73.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.531 -0.73 . . . . 0.0 109.953 179.624 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.59 -38.88 86.72 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 179.396 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.48 -42.15 98.58 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.549 -0.971 . . . . 0.0 110.338 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tp -66.6 -38.28 86.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.523 -0.736 . . . . 0.0 110.38 179.75 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -39.17 93.87 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.45 -0.781 . . . . 0.0 110.184 179.49 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -71.89 -25.28 61.86 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.375 -0.828 . . . . 0.0 110.234 179.559 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.44 -21.37 38.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.492 -0.755 . . . . 0.0 110.517 179.286 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.1 m -60.44 -50.6 72.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.397 -0.814 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -24.82 67.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.399 -0.813 . . . . 0.0 110.653 179.807 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -76.78 -34.66 57.98 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.188 -0.945 . . . . 0.0 110.341 179.667 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.97 -42.4 69.76 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.857 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -49.05 9.58 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.552 -0.717 . . . . 0.0 110.15 179.817 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 56.61 32.45 20.98 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.716 -0.615 . . . . 0.0 111.361 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 pt -146.28 69.51 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.32 -0.863 . . . . 0.0 109.726 179.286 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -81.54 124.29 80.18 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 121.341 -0.849 . . . . 0.0 110.407 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -76.24 154.72 36.95 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 O-C-N 123.86 1.453 . . . . 0.0 110.545 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.76 0.78 56.79 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.577 -0.702 . . . . 0.0 111.083 179.823 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.2 ttt -100.95 -49.14 4.21 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.109 -0.995 . . . . 0.0 110.22 179.902 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.259 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -133.7 133.55 41.99 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.379 -0.826 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -68.95 -32.42 72.01 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.548 -0.72 . . . . 0.0 110.653 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -53.84 -47.65 70.74 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.427 -0.796 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.08 -44.49 74.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.552 -0.718 . . . . 0.0 110.296 179.707 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.92 -38.71 92.08 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.5 -0.75 . . . . 0.0 110.079 179.465 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 4' ' ' ALA . 29.1 mt -71.09 -36.85 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.54 -0.725 . . . . 0.0 110.12 179.593 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -54.02 -45.8 71.65 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.43 -0.794 . . . . 0.0 110.554 179.899 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -84.37 -37.0 22.08 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.394 -0.816 . . . . 0.0 110.21 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.53 93.55 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 109.944 -1.263 . . . . 0.0 109.944 179.692 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.71 -38.16 80.87 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.436 -1.037 . . . . 0.0 110.676 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -54.39 -42.25 70.18 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.504 -0.748 . . . . 0.0 110.286 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -88.3 -38.27 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.463 -0.773 . . . . 0.0 109.791 179.476 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -43.72 98.29 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.515 -0.741 . . . . 0.0 111.09 -179.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.03 -45.54 75.19 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.288 -0.882 . . . . 0.0 110.573 -179.803 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -42.12 95.27 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.413 -0.804 . . . . 0.0 110.069 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.13 -39.38 78.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.483 -0.761 . . . . 0.0 110.403 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 21' ' ' ILE . 5.0 tmtt? -64.37 -36.21 83.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.626 -0.671 . . . . 0.0 110.456 179.755 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 t -64.96 -37.44 87.64 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.196 -0.94 . . . . 0.0 109.662 179.4 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -79.17 -40.47 30.79 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.69 -0.631 . . . . 0.0 110.312 179.643 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 18' ' ' LYS . 1.3 tp -67.38 -31.5 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.379 -0.825 . . . . 0.0 110.953 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -65.56 -48.02 73.83 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.34 -0.85 . . . . 0.0 109.789 179.627 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.73 -41.31 93.82 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 179.379 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.31 -40.24 93.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.461 -1.023 . . . . 0.0 110.137 179.601 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.56 -41.07 98.69 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.458 -0.776 . . . . 0.0 110.245 179.655 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -61.05 -43.58 98.68 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.377 -0.827 . . . . 0.0 109.455 179.339 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -36.21 74.56 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 0.0 109.88 179.055 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.82 -35.52 69.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.672 -0.643 . . . . 0.0 110.292 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 m -58.23 -45.62 87.4 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.697 -0.627 . . . . 0.0 110.194 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -47.26 50.79 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.57 -0.706 . . . . 0.0 109.871 179.589 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.53 -35.0 69.72 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.59 -0.694 . . . . 0.0 110.324 179.432 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.96 98.92 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.424 -0.798 . . . . 0.0 110.248 179.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -71.06 -25.49 62.66 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.284 -0.885 . . . . 0.0 110.576 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -72.76 -27.88 62.29 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.249 -0.907 . . . . 0.0 110.75 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.6 tt -106.44 44.16 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.214 -0.929 . . . . 0.0 110.786 -179.82 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -117.12 114.93 38.64 Favored Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.013 -1.054 . . . . 0.0 110.228 179.74 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.78 142.26 31.76 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.787 1.414 . . . . 0.0 110.469 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.28 -44.64 5.87 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.594 -0.691 . . . . 0.0 110.349 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.9 -36.94 24.89 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.443 -0.786 . . . . 0.0 110.361 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.858 0 O-C-N 121.492 -0.755 . . . . 0.0 110.103 179.89 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 121.112 0.482 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.96 173.28 14.48 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.391 -0.818 . . . . 0.0 110.407 179.823 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.89 -50.6 3.07 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.498 -0.751 . . . . 0.0 110.66 -179.705 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.78 -49.25 18.68 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.422 -0.799 . . . . 0.0 110.677 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.39 -27.85 66.36 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.412 -0.805 . . . . 0.0 110.769 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -38.72 62.69 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.577 -0.702 . . . . 0.0 110.789 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt -79.36 -48.96 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.299 -0.876 . . . . 0.0 110.015 179.84 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.33 -53.65 49.27 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.536 -0.727 . . . . 0.0 110.533 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -67.47 -36.93 82.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.414 -0.804 . . . . 0.0 109.955 179.508 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.04 -44.82 62.7 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 179.37 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -40.75 73.97 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.497 -1.002 . . . . 0.0 109.541 178.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -44.14 96.86 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.576 -0.702 . . . . 0.0 110.254 179.543 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -79.68 -31.92 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.431 -0.793 . . . . 0.0 110.254 179.693 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.07 -54.44 30.2 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.354 -0.841 . . . . 0.0 110.454 179.867 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -66.57 -32.64 74.11 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.466 -0.771 . . . . 0.0 110.259 179.484 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -27.96 69.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.354 -0.841 . . . . 0.0 109.792 178.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mp -80.12 -24.9 40.18 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.469 -0.769 . . . . 0.0 110.14 179.34 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -62.04 -44.53 96.49 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.486 -0.759 . . . . 0.0 110.063 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 p -67.57 -35.78 79.66 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.476 -0.765 . . . . 0.0 109.88 179.413 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.13 -41.74 93.29 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.548 -0.72 . . . . 0.0 109.848 179.349 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 mm -68.68 -32.4 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.623 -0.673 . . . . 0.0 109.591 179.268 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -46.59 89.28 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.672 -0.642 . . . . 0.0 109.626 179.12 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.45 -40.86 98.08 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.034 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.53 -42.3 98.43 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.626 -0.926 . . . . 0.0 109.699 179.157 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.94 -36.89 84.91 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.596 -0.69 . . . . 0.0 110.12 179.403 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -34.38 77.84 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.448 -0.782 . . . . 0.0 110.016 179.407 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -68.43 -33.12 73.64 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.314 -0.866 . . . . 0.0 109.824 179.152 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.27 -4.06 58.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.672 -0.643 . . . . 0.0 111.112 179.576 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.3 p -66.39 -30.86 71.33 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.175 -0.953 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 1.4 tppp? -59.03 -41.68 88.38 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.346 -0.846 . . . . 0.0 110.42 179.848 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.54 -40.16 88.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.448 -0.783 . . . . 0.0 109.824 179.345 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.16 77.89 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.489 -0.757 . . . . 0.0 110.02 179.265 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -37.86 81.61 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.319 -0.863 . . . . 0.0 109.791 179.173 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.67 -35.79 67.77 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.576 -0.702 . . . . 0.0 110.482 179.738 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 tt -146.14 77.6 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.376 -0.828 . . . . 0.0 109.779 179.806 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.01 143.73 61.26 Favored Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.498 -0.751 . . . . 0.0 110.729 -179.5 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.99 -171.66 0.94 Allowed 'Trans proline' 0 N--CA 1.488 1.188 0 O-C-N 123.933 1.491 . . . . 0.0 110.808 179.808 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.86 -21.97 43.46 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.212 -0.93 . . . . 0.0 111.059 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.3 mtp -88.45 -38.84 14.69 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.195 -0.941 . . . . 0.0 110.721 -179.82 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.55 -179.939 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.131 0.491 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.41 122.02 32.91 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.355 -0.84 . . . . 0.0 110.196 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -101.25 -32.8 10.33 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.479 -0.763 . . . . 0.0 110.436 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.18 -42.54 79.82 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.382 -0.824 . . . . 0.0 109.806 179.438 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.24 -37.5 23.51 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.726 -0.609 . . . . 0.0 110.728 179.689 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -44.72 78.4 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.479 -0.763 . . . . 0.0 110.196 179.643 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.5 mt -60.36 -46.59 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.514 -0.741 . . . . 0.0 109.985 179.74 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.72 -49.18 78.57 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.614 -0.679 . . . . 0.0 110.159 179.555 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.93 -38.31 90.62 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.477 -0.765 . . . . 0.0 110.077 179.494 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -37.14 94.26 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.514 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.33 -41.45 84.6 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.444 -1.033 . . . . 0.0 110.02 179.564 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -44.55 66.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.495 -0.753 . . . . 0.0 109.968 179.479 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.02 -39.81 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.565 -0.709 . . . . 0.0 109.742 179.427 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.29 95.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.562 -0.711 . . . . 0.0 110.154 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -70.11 -33.73 72.22 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.42 -0.8 . . . . 0.0 110.198 179.603 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -35.07 68.78 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.38 -0.825 . . . . 0.0 109.702 179.125 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.98 -26.49 23.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.577 -0.702 . . . . 0.0 110.274 179.087 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -51.79 64.26 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.596 -0.69 . . . . 0.0 110.389 179.853 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -64.98 -34.93 79.61 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.423 -0.798 . . . . 0.0 110.264 179.664 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -63.34 -40.21 96.69 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.483 -0.761 . . . . 0.0 110.141 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 mt -65.91 -39.9 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.507 -0.746 . . . . 0.0 109.605 179.467 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -71.08 -40.48 71.54 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.747 -0.596 . . . . 0.0 109.614 179.238 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.52 -44.84 96.42 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 179.272 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.17 -44.69 88.1 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.475 -1.015 . . . . 0.0 109.775 179.266 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.13 -42.7 88.75 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.608 -0.683 . . . . 0.0 109.475 178.913 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -67.36 -31.45 71.72 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.733 -0.604 . . . . 0.0 110.091 179.558 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -59.02 -45.2 91.29 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.325 -0.86 . . . . 0.0 109.741 179.482 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.54 92.06 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.673 -0.642 . . . . 0.0 109.712 178.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 t -68.2 -35.27 77.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.823 -0.548 . . . . 0.0 109.897 179.091 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -56.59 -43.34 79.97 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.597 -0.689 . . . . 0.0 110.252 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -73.7 -32.32 63.87 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.514 -0.742 . . . . 0.0 110.19 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.07 -33.09 61.65 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.443 -0.785 . . . . 0.0 110.489 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -86.44 -31.79 21.21 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.239 -0.913 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t70 56.58 67.41 1.0 Allowed 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.608 -0.682 . . . . 0.0 110.432 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 tt -132.65 27.96 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.291 -0.88 . . . . 0.0 110.788 -179.926 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -116.12 88.55 22.64 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.118 -0.989 . . . . 0.0 110.06 179.571 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -76.42 79.85 2.89 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 O-C-N 123.929 1.489 . . . . 0.0 110.495 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.61 -34.39 15.49 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.377 -0.827 . . . . 0.0 110.703 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.5 ttp -89.97 -56.54 3.19 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.384 -0.823 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 . . . . . 0 N--CA 1.5 2.065 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.764 -179.797 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 120.991 0.424 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -137.87 154.02 49.51 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.462 -0.774 . . . . 0.0 110.385 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.485 ' HG2' ' N ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -64.15 -26.56 68.58 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.509 -0.745 . . . . 0.0 110.259 179.468 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' N ' ' HG2' ' A' ' 3' ' ' ARG . . . -76.94 -40.93 45.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.406 -0.808 . . . . 0.0 109.521 179.059 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.52 -23.97 66.31 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.643 -0.661 . . . . 0.0 110.406 179.368 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.98 -41.64 83.41 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.4 -0.813 . . . . 0.0 110.246 179.552 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.6 mt -63.65 -45.65 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.406 -0.809 . . . . 0.0 109.368 179.345 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.56 -38.51 91.25 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.615 -0.678 . . . . 0.0 109.656 179.013 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -59.65 -37.65 79.27 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.644 -0.66 . . . . 0.0 110.407 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.21 93.07 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -43.82 94.79 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.56 -0.965 . . . . 0.0 109.357 179.167 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -43.27 97.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.694 -0.629 . . . . 0.0 109.377 178.782 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.45 -41.52 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.639 -0.663 . . . . 0.0 109.505 179.228 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.19 -39.28 66.48 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.597 -0.689 . . . . 0.0 110.234 179.444 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -69.69 -42.07 74.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.383 -0.823 . . . . 0.0 109.69 179.226 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.2 ttt -64.04 -30.6 71.66 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.527 -0.733 . . . . 0.0 110.243 179.306 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -32.29 64.94 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.645 -0.66 . . . . 0.0 110.312 179.514 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' HA ' HD13 ' A' ' 21' ' ' ILE . 10.3 tttt -57.19 -40.62 77.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.662 -0.649 . . . . 0.0 109.836 179.15 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -62.16 -40.89 97.52 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.542 -0.724 . . . . 0.0 110.013 179.327 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -62.29 -41.5 98.54 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.498 -0.751 . . . . 0.0 109.951 179.467 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 18' ' ' LYS . 43.4 mt -62.43 -37.31 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.573 -0.705 . . . . 0.0 109.624 179.325 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -65.38 -39.37 92.16 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.659 -0.65 . . . . 0.0 109.7 179.148 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.62 99.8 Favored Glycine 0 N--CA 1.496 2.691 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 179.124 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.38 -37.49 85.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.602 -0.94 . . . . 0.0 109.519 178.996 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.19 -40.19 93.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.687 -0.633 . . . . 0.0 109.874 179.203 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -39.81 95.82 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.629 -0.67 . . . . 0.0 110.037 179.524 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -32.64 74.41 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.456 -0.778 . . . . 0.0 110.097 179.325 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.15 -19.06 51.96 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.563 -0.71 . . . . 0.0 110.367 179.156 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -73.39 -11.2 60.39 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.475 -0.766 . . . . 0.0 111.006 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -49.65 -37.27 27.64 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.384 -0.823 . . . . 0.0 110.613 179.762 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -43.01 74.76 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.577 -0.702 . . . . 0.0 110.501 179.677 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.9 -29.81 28.94 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.398 -0.813 . . . . 0.0 110.268 179.403 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -25.4 63.64 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.557 -0.715 . . . . 0.0 110.673 179.643 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.53 -42.68 61.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.5 -0.75 . . . . 0.0 110.959 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 pt -118.71 14.37 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.378 -0.826 . . . . 0.0 111.154 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -138.95 133.19 16.31 Favored Pre-proline 0 N--CA 1.496 1.87 0 O-C-N 121.132 -0.98 . . . . 0.0 110.152 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.61 134.6 22.51 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.749 1.394 . . . . 0.0 110.433 179.782 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.56 -47.97 5.44 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.478 -0.764 . . . . 0.0 110.362 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtm -72.96 -33.56 65.95 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.504 -0.747 . . . . 0.0 110.292 179.744 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.209 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 120.983 0.421 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.6 155.39 45.75 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.497 -0.752 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -96.91 -52.46 3.87 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.48 -0.763 . . . . 0.0 109.845 179.681 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.98 70.38 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.621 -0.675 . . . . 0.0 110.641 179.751 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.9 -40.75 70.12 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.486 -0.759 . . . . 0.0 110.638 179.746 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -43.97 97.62 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.406 -0.809 . . . . 0.0 110.087 179.625 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.2 mt -63.95 -39.6 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.608 -0.682 . . . . 0.0 110.031 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.42 -39.24 93.95 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.416 -0.802 . . . . 0.0 110.152 179.631 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.24 -39.42 94.57 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.296 -0.878 . . . . 0.0 109.813 179.437 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.22 -29.9 76.3 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 179.003 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -62.74 -53.58 52.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.476 -1.014 . . . . 0.0 109.862 179.562 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 13' ' ' ILE . 8.4 ptp180 -68.64 -30.83 69.63 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.393 -0.817 . . . . 0.0 110.398 179.593 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 46.0 mt -70.84 -42.63 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.17 -0.957 . . . . 0.0 109.332 179.032 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.76 79.1 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 0.0 110.388 179.426 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.46 -42.85 92.96 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.396 -0.815 . . . . 0.0 110.173 179.738 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -34.44 67.95 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.5 -0.75 . . . . 0.0 110.16 179.458 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.03 -27.42 66.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.502 -0.749 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' HA ' HD12 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -54.37 -49.68 69.27 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.511 -0.743 . . . . 0.0 110.562 -179.948 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -61.26 -36.86 81.17 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.438 -0.789 . . . . 0.0 110.171 179.684 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -38.2 85.28 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.54 -0.725 . . . . 0.0 110.254 179.534 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 18' ' ' LYS . 25.1 mt -64.95 -38.94 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.528 -0.733 . . . . 0.0 110.087 179.75 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -65.17 -45.7 83.81 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.68 -0.637 . . . . 0.0 109.971 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.12 -42.84 97.9 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.94 -38.29 90.54 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.645 -0.915 . . . . 0.0 109.682 179.068 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -38.8 90.26 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.545 -0.722 . . . . 0.0 109.983 179.3 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -60.66 -42.84 97.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.463 -0.773 . . . . 0.0 109.674 179.367 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -77.14 -40.84 44.15 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.44 -0.788 . . . . 0.0 110.03 179.378 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.39 -33.6 72.71 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.691 -0.631 . . . . 0.0 110.528 179.63 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 m -59.7 -38.89 82.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.574 -0.704 . . . . 0.0 110.09 179.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.04 -38.28 53.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.499 -0.751 . . . . 0.0 109.881 179.334 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -33.47 75.61 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.57 -0.706 . . . . 0.0 110.035 179.552 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.29 -3.08 31.29 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.43 -0.794 . . . . 0.0 111.194 179.651 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -91.92 1.94 56.86 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.09 -1.006 . . . . 0.0 111.389 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.01 51.79 0.48 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.976 -1.077 . . . . 0.0 110.747 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 pp -131.49 32.63 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.193 -0.942 . . . . 0.0 110.732 179.528 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.98 91.75 36.96 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.175 -0.953 . . . . 0.0 110.09 179.78 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -74.17 95.88 0.93 Allowed 'Trans proline' 0 C--N 1.313 -1.319 0 O-C-N 123.873 1.459 . . . . 0.0 110.704 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.36 -47.85 25.72 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.361 -0.837 . . . . 0.0 110.127 179.718 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.1 mtt -101.27 -47.79 4.6 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.439 -0.788 . . . . 0.0 109.956 179.664 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 117.85 -1.071 . . . . 0.0 110.122 179.774 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 121.103 0.477 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.09 135.68 37.75 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.426 -0.796 . . . . 0.0 110.181 179.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 mtt85 -104.7 -47.44 4.06 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.445 -0.784 . . . . 0.0 110.755 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.74 -45.24 74.1 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.762 . . . . 0.0 110.776 -179.851 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.91 90.51 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.453 -0.779 . . . . 0.0 110.348 179.728 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 tp -63.18 -34.41 77.57 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.545 -0.722 . . . . 0.0 110.283 179.487 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 mt -81.77 -37.75 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.388 -0.82 . . . . 0.0 109.591 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.24 -49.26 72.44 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.791 -0.568 . . . . 0.0 111.061 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -60.88 -35.74 77.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.202 -0.936 . . . . 0.0 110.296 179.937 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.62 -35.38 36.56 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.307 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -45.41 74.71 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.582 -0.952 . . . . 0.0 110.293 179.804 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -59.82 -36.4 76.73 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.612 -0.68 . . . . 0.0 110.335 179.718 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.459 HG23 HD11 ' A' ' 13' ' ' ILE . 43.3 mm -82.44 -42.63 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.465 -0.772 . . . . 0.0 110.035 179.827 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.96 95.99 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.603 -0.686 . . . . 0.0 111.158 -179.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.14 -52.05 67.37 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.408 -0.807 . . . . 0.0 110.399 -179.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.4 ttm -67.63 -36.08 80.13 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.479 -0.763 . . . . 0.0 110.312 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.8 tp -69.56 -33.96 73.5 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.404 -0.81 . . . . 0.0 110.665 179.849 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -51.42 -49.65 61.21 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.596 -0.69 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.9 t -61.86 -38.45 88.32 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.592 -0.693 . . . . 0.0 109.995 179.417 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -66.46 -42.03 88.16 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.602 -0.686 . . . . 0.0 110.13 179.495 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mm -66.55 -33.52 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.552 -0.717 . . . . 0.0 110.05 179.569 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -58.65 -49.23 78.3 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.541 -0.724 . . . . 0.0 109.492 179.323 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.56 -44.47 63.86 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.088 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -44.4 87.79 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.528 -0.984 . . . . 0.0 110.17 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.96 -44.47 94.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.623 -0.673 . . . . 0.0 109.979 179.424 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.28 -43.75 80.99 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.452 -0.78 . . . . 0.0 109.874 179.476 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.67 -38.02 89.55 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.525 -0.734 . . . . 0.0 110.066 179.368 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -30.95 71.8 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.695 -0.628 . . . . 0.0 110.336 179.364 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -59.22 -48.98 79.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.617 -0.677 . . . . 0.0 109.997 179.536 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -77.68 -31.08 52.28 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.519 -0.738 . . . . 0.0 110.202 179.392 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -69.98 -28.87 65.89 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.048 -1.032 . . . . 0.0 110.315 179.437 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.49 -43.19 10.41 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.405 -0.809 . . . . 0.0 110.737 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' CB ' ' A' ' 34' ' ' ASP . 2.4 mp0 -96.3 -52.22 4.08 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.309 -0.87 . . . . 0.0 110.449 -179.727 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 0.4 OUTLIER 73.08 -50.57 0.7 Allowed 'General case' 0 N--CA 1.507 2.393 0 O-C-N 122.018 -0.426 . . . . 0.0 111.133 179.928 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.4 tt -149.43 69.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.388 -0.82 . . . . 0.0 109.932 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.1 139.03 34.49 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.181 -0.949 . . . . 0.0 110.442 -179.874 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -82.06 29.96 0.53 Allowed 'Trans proline' 0 C--N 1.314 -1.262 0 O-C-N 123.847 1.446 . . . . 0.0 111.208 179.551 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.97 20.74 16.65 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.106 -0.996 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.0 ptp -93.06 -27.1 17.18 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.121 -0.987 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.251 -0.906 . . . . 0.0 110.506 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.524 0 N-CA-C 109.166 -1.574 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.5 -44.07 96.35 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.573 -0.957 . . . . 0.0 109.775 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -66.85 -43.66 83.06 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.545 -0.722 . . . . 0.0 109.963 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.55 -42.9 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.434 -0.791 . . . . 0.0 109.875 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.74 89.34 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.569 -0.707 . . . . 0.0 110.697 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -46.75 87.75 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.325 -0.859 . . . . 0.0 110.11 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -41.83 73.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.476 -0.765 . . . . 0.0 110.056 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.06 -32.24 73.73 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.454 -0.779 . . . . 0.0 110.437 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -49.21 78.48 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.432 -0.792 . . . . 0.0 109.799 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 m -67.84 -33.43 74.75 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.608 -0.683 . . . . 0.0 110.137 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -62.31 -41.75 98.8 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.391 -0.818 . . . . 0.0 110.241 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.09 -33.44 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.522 -0.736 . . . . 0.0 109.943 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -45.88 89.12 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.467 -0.77 . . . . 0.0 109.721 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.33 -38.98 96.58 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.38 -40.16 95.27 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.492 -1.005 . . . . 0.0 110.191 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.29 -44.19 97.09 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.439 -0.788 . . . . 0.0 110.309 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 O-C-N 121.505 -0.747 . . . . 0.0 109.904 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.617 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.53 -46.64 89.4 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.245 -1.15 . . . . 0.0 110.427 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' MET . 0.0 OUTLIER -60.88 -34.64 74.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.453 -0.78 . . . . 0.0 111.048 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mm -89.41 -33.27 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.362 -0.836 . . . . 0.0 110.721 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.35 -62.26 1.73 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.428 -0.795 . . . . 0.0 111.265 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -67.79 -34.91 77.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.348 -0.845 . . . . 0.0 110.768 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -60.56 -47.65 85.24 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.333 -0.854 . . . . 0.0 110.272 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -81.0 -20.38 41.91 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.457 -0.777 . . . . 0.0 110.93 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' HG22 ' A' ' 21' ' ' ILE . 33.2 tttt -62.87 -46.9 85.71 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.307 -0.871 . . . . 0.0 109.947 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.5 m -71.21 -36.7 71.97 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.373 -0.83 . . . . 0.0 109.503 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -67.71 -42.09 82.5 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.65 -0.656 . . . . 0.0 110.479 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 18' ' ' LYS . 2.7 tp -61.9 -29.75 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.241 -0.912 . . . . 0.0 110.199 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -39.58 63.08 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.461 -0.775 . . . . 0.0 109.684 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.2 -39.64 36.3 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 24' ' ' LEU . 2.4 mm? -60.03 -43.22 95.46 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.501 -0.999 . . . . 0.0 110.351 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.38 -44.0 97.92 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.511 -0.743 . . . . 0.0 110.255 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 . . . . . 0 N--CA 1.495 1.798 0 O-C-N 121.516 -0.74 . . . . 0.0 110.365 179.652 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.464 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -55.2 -45.81 75.87 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.193 -1.181 . . . . 0.0 110.534 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 12.7 tpt85 -86.07 -25.71 25.72 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.295 -0.878 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.8 mm -81.49 -23.7 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.144 -0.972 . . . . 0.0 110.489 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.74 84.53 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.404 -0.81 . . . . 0.0 111.091 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 11.1 pt-20 -58.27 -34.76 70.85 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.212 -0.93 . . . . 0.0 110.429 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.4 mtp -79.09 -43.29 24.43 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.368 -0.832 . . . . 0.0 109.864 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.1 mm? -68.5 -24.33 64.66 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.459 -0.776 . . . . 0.0 110.72 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.18 -48.74 80.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 0.0 110.098 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -60.84 -36.93 80.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.473 -0.767 . . . . 0.0 110.222 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -54.78 19.01 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.56 -0.712 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.69 -34.28 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.517 -0.739 . . . . 0.0 110.255 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.87 -42.39 66.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.494 -0.754 . . . . 0.0 109.899 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.53 -39.86 93.7 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.17 -44.41 95.52 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.481 -1.011 . . . . 0.0 109.87 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.427 ' HA ' HD13 ' A' ' 25' ' ' LEU . 3.6 mm? -73.45 -36.71 65.94 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.512 -0.743 . . . . 0.0 110.423 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 . . . . . 0 N--CA 1.499 2.005 0 O-C-N 121.536 -0.727 . . . . 0.0 110.634 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.664 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -57.99 -39.63 78.72 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.415 -1.05 . . . . 0.0 109.673 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -74.1 -39.75 63.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.61 -0.681 . . . . 0.0 109.741 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.11 -42.15 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.609 -0.682 . . . . 0.0 109.748 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.98 71.08 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.545 -0.722 . . . . 0.0 110.181 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -41.22 28.3 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.538 -0.726 . . . . 0.0 110.094 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.5 tpt -59.48 -35.91 75.01 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.394 -0.816 . . . . 0.0 110.602 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 tp -68.66 -35.29 77.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.258 -0.901 . . . . 0.0 110.308 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -43.79 67.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.486 -0.759 . . . . 0.0 110.474 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.4 p -66.95 -25.91 66.58 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.334 -0.854 . . . . 0.0 110.687 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -45.57 31.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.246 -0.909 . . . . 0.0 110.116 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.78 -34.42 56.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.467 -0.771 . . . . 0.0 110.462 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.98 -41.98 15.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.378 -0.826 . . . . 0.0 110.257 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.83 -44.52 97.75 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.21 -50.27 74.67 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.632 -0.922 . . . . 0.0 110.001 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.18 -42.81 99.24 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.56 -0.712 . . . . 0.0 109.706 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.496 1.841 0 O-C-N 121.637 -0.664 . . . . 0.0 109.836 179.31 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.578 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -56.59 -46.0 81.09 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.417 -1.049 . . . . 0.0 110.093 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -64.62 -47.05 79.99 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.406 -0.809 . . . . 0.0 110.177 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.66 -40.8 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.396 -0.815 . . . . 0.0 109.925 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.04 98.26 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.531 -0.731 . . . . 0.0 110.645 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.65 -43.74 92.67 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.383 -0.823 . . . . 0.0 110.173 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 ttm -60.87 -37.12 81.04 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.562 -0.711 . . . . 0.0 110.19 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 tp -69.32 -41.27 76.91 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.496 -0.753 . . . . 0.0 110.358 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' A' ' 21' ' ' ILE . 7.7 mttt -57.27 -48.59 78.48 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.603 -0.685 . . . . 0.0 110.187 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -37.39 87.2 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.451 -0.781 . . . . 0.0 110.197 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -63.67 -38.14 89.99 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.422 -0.799 . . . . 0.0 110.373 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 18' ' ' LYS . 35.6 mt -66.29 -37.18 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.476 -0.765 . . . . 0.0 109.967 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -68.79 -41.77 78.27 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.53 -0.731 . . . . 0.0 110.169 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.9 -37.16 94.25 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.28 -43.15 87.22 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.45 -1.029 . . . . 0.0 110.217 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -39.15 83.86 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.394 -0.816 . . . . 0.0 110.007 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.822 0 O-C-N 121.554 -0.716 . . . . 0.0 110.386 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.635 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -58.01 -44.91 87.54 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.428 -1.042 . . . . 0.0 110.163 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -63.61 -45.69 89.17 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.556 -0.715 . . . . 0.0 110.031 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mt -68.11 -41.64 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.474 -0.767 . . . . 0.0 109.907 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.653 -0.654 . . . . 0.0 110.79 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -45.61 46.69 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.395 -0.816 . . . . 0.0 110.072 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -44.07 97.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.599 -0.688 . . . . 0.0 110.019 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -36.36 84.12 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.47 -0.769 . . . . 0.0 110.093 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -45.1 94.12 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.786 -0.571 . . . . 0.0 110.096 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -69.08 -36.86 78.08 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.549 -0.72 . . . . 0.0 110.387 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -64.44 -43.44 94.31 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.445 -0.785 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.586 ' HA ' HD21 ' A' ' 24' ' ' LEU . 20.9 mm -62.83 -34.37 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.604 -0.685 . . . . 0.0 110.263 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -75.7 -32.17 59.99 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.484 -0.76 . . . . 0.0 110.308 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.3 -53.79 37.0 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.586 HD21 ' HA ' ' A' ' 21' ' ' ILE . 3.6 pp -63.62 -28.28 69.81 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.394 -1.062 . . . . 0.0 110.817 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.3 -43.31 98.21 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.354 -0.841 . . . . 0.0 110.302 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.427 -0.796 . . . . 0.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.58 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -54.43 -44.46 72.47 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.483 -1.01 . . . . 0.0 110.091 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -77.31 -36.86 53.71 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.567 -0.708 . . . . 0.0 110.014 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -62.83 -44.33 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.368 -0.833 . . . . 0.0 109.342 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.64 98.67 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.681 -0.637 . . . . 0.0 110.197 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.21 -41.67 93.54 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.573 -0.705 . . . . 0.0 110.097 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.0 mtt -62.73 -43.03 99.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.547 -0.721 . . . . 0.0 110.141 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -38.04 89.63 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.537 -0.727 . . . . 0.0 110.227 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -39.73 95.36 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.671 -0.643 . . . . 0.0 110.026 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 t -66.12 -40.32 90.6 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.408 -0.807 . . . . 0.0 109.606 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -64.27 -41.25 97.0 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.6 -0.688 . . . . 0.0 110.296 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -32.48 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.462 -0.774 . . . . 0.0 110.077 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -40.21 91.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.471 -0.768 . . . . 0.0 109.702 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.66 -39.03 93.66 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.32 -38.91 93.01 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.401 -1.058 . . . . 0.0 110.101 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.11 -36.58 84.06 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.608 -0.683 . . . . 0.0 110.203 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 . . . . . 0 N--CA 1.495 1.824 0 O-C-N 121.513 -0.742 . . . . 0.0 110.367 179.507 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.665 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -43.34 81.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.75 -0.853 . . . . 0.0 109.549 178.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.13 -45.52 88.19 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.638 -0.664 . . . . 0.0 109.638 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -64.19 -41.77 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.555 -0.716 . . . . 0.0 109.525 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.27 89.83 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.684 -0.635 . . . . 0.0 110.154 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.52 -47.45 83.87 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.448 -0.783 . . . . 0.0 109.87 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.9 ttt -64.51 -39.81 94.47 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.493 -0.754 . . . . 0.0 110.054 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.87 -40.94 90.34 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.647 -0.658 . . . . 0.0 109.843 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -38.18 90.13 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.688 -0.633 . . . . 0.0 110.0 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -64.79 -38.38 90.78 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.404 -0.81 . . . . 0.0 109.769 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -65.48 -38.79 90.82 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.526 -0.734 . . . . 0.0 109.982 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.3 mm -68.27 -35.19 70.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.518 -0.739 . . . . 0.0 109.729 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -42.43 99.77 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.63 -0.669 . . . . 0.0 109.738 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.47 -38.58 95.95 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.98 -38.08 89.73 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.533 -0.981 . . . . 0.0 109.88 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.77 -37.78 85.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.51 -0.744 . . . . 0.0 109.968 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.542 -0.724 . . . . 0.0 109.955 179.438 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.545 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.7 -40.2 82.96 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.591 -0.947 . . . . 0.0 109.794 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -65.47 -46.59 79.18 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.532 -0.73 . . . . 0.0 109.704 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 17' ' ' LEU . 44.3 mm -69.09 -37.57 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.384 -0.822 . . . . 0.0 109.642 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -39.82 74.12 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.555 -0.715 . . . . 0.0 110.435 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -46.91 61.58 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.349 -0.844 . . . . 0.0 109.7 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -38.45 81.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.391 -0.818 . . . . 0.0 109.717 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.475 HD12 HG22 ' A' ' 13' ' ' ILE . 8.7 mt -69.82 -30.3 67.78 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.526 -0.734 . . . . 0.0 110.277 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -43.76 85.02 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.614 -0.678 . . . . 0.0 110.123 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 t -63.23 -41.02 99.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.424 -0.797 . . . . 0.0 109.789 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -66.1 -43.86 86.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.633 -0.667 . . . . 0.0 110.226 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.7 mt -66.43 -32.13 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.505 -0.747 . . . . 0.0 110.108 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.44 -46.71 87.97 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.534 -0.729 . . . . 0.0 109.875 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.33 -36.53 91.79 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.17 -41.63 94.45 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.493 -1.004 . . . . 0.0 109.84 179.231 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.95 -37.34 84.36 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.414 -0.803 . . . . 0.0 109.862 179.078 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.839 0 O-C-N 121.54 -0.725 . . . . 0.0 109.971 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.628 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -54.79 22.96 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.4 -1.059 . . . . 0.0 111.017 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -65.13 -29.24 70.08 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.091 -1.005 . . . . 0.0 110.939 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mt -81.97 -41.01 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.189 -0.945 . . . . 0.0 110.064 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.64 -51.24 57.34 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.437 -0.79 . . . . 0.0 110.082 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.25 -44.97 93.68 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.545 -0.722 . . . . 0.0 109.614 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.5 tpp -59.83 -37.47 79.3 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.586 -0.697 . . . . 0.0 109.741 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -43.84 98.28 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.65 -0.656 . . . . 0.0 109.991 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -45.14 94.5 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.756 -0.59 . . . . 0.0 109.658 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -36.51 83.4 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.602 -0.686 . . . . 0.0 109.732 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -37.85 88.36 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.478 -0.763 . . . . 0.0 110.083 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.82 -37.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.461 -0.774 . . . . 0.0 109.699 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.65 -43.42 93.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.592 -0.692 . . . . 0.0 109.556 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.47 97.56 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.01 -40.71 85.77 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.588 -0.948 . . . . 0.0 109.954 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -61.25 -43.46 98.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.543 -0.723 . . . . 0.0 109.402 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.808 0 O-C-N 121.609 -0.682 . . . . 0.0 109.692 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.558 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -47.55 80.47 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.763 -0.845 . . . . 0.0 109.572 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -41.95 93.36 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.65 -0.656 . . . . 0.0 109.958 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mm -64.97 -42.43 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.323 -0.861 . . . . 0.0 109.139 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.16 85.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.66 -0.65 . . . . 0.0 110.045 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.66 -51.07 68.71 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.544 -0.722 . . . . 0.0 109.606 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -34.95 79.37 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.62 -0.675 . . . . 0.0 110.207 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.58 -31.88 71.38 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.388 -0.82 . . . . 0.0 110.341 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -59.07 -48.26 82.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.516 -0.74 . . . . 0.0 110.085 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -71.87 -34.12 68.94 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -48.22 76.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.553 -0.717 . . . . 0.0 110.186 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' HA ' HD13 ' A' ' 21' ' ' ILE . 23.8 mm -62.72 -33.8 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.386 -0.822 . . . . 0.0 110.155 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -43.6 84.96 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.408 -0.807 . . . . 0.0 109.862 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -40.54 59.12 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.81 -47.48 84.92 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.591 -0.946 . . . . 0.0 110.12 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.24 -39.56 90.77 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.452 -0.78 . . . . 0.0 110.06 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? . . . . . 0 N--CA 1.496 1.856 0 O-C-N 121.544 -0.722 . . . . 0.0 109.784 179.387 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.619 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.55 -39.27 87.35 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.554 -0.968 . . . . 0.0 109.776 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.95 98.49 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.6 -0.688 . . . . 0.0 109.732 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.02 -41.61 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.559 -0.713 . . . . 0.0 109.443 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.01 -41.93 84.17 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.645 -0.659 . . . . 0.0 110.419 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.66 -46.13 89.61 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.344 -0.847 . . . . 0.0 110.108 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.8 tpp -60.77 -37.08 80.64 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.487 -0.758 . . . . 0.0 109.818 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.29 -37.42 85.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.491 -0.756 . . . . 0.0 110.172 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -42.96 99.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.747 -0.595 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -69.67 -35.83 75.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.617 -0.677 . . . . 0.0 110.0 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -61.57 -41.7 97.77 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.448 -0.783 . . . . 0.0 109.605 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 24' ' ' LEU . 25.5 mm -67.35 -36.1 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.655 -0.653 . . . . 0.0 109.765 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -64.05 -43.86 94.22 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.62 -0.675 . . . . 0.0 109.79 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.7 -40.22 98.48 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 21' ' ' ILE . 32.0 mt -61.9 -45.11 95.14 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.436 -1.037 . . . . 0.0 109.828 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.96 -39.0 87.88 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.58 -0.7 . . . . 0.0 110.2 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.529 -0.732 . . . . 0.0 110.268 179.556 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.609 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -57.01 -40.38 76.54 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.475 -1.015 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -62.16 -51.88 66.09 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.359 -0.838 . . . . 0.0 109.923 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.9 mt -66.3 -41.14 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.609 -0.682 . . . . 0.0 109.825 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -45.47 94.65 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.456 -0.777 . . . . 0.0 110.411 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.24 -39.99 84.51 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.465 -0.772 . . . . 0.0 110.366 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.1 mtt -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.474 -0.766 . . . . 0.0 109.823 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.5 mm? -78.26 -32.03 49.4 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.445 -0.784 . . . . 0.0 110.396 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' A' ' 21' ' ' ILE . 22.6 mttm -53.58 -49.63 67.31 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.708 -0.62 . . . . 0.0 110.49 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -61.09 -38.65 87.04 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.457 -0.777 . . . . 0.0 110.185 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.97 -36.73 85.35 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.526 -0.734 . . . . 0.0 110.274 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 18' ' ' LYS . 22.9 mt -68.95 -32.47 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.472 -0.768 . . . . 0.0 109.707 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -68.21 -44.31 76.07 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.526 -0.734 . . . . 0.0 110.283 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.65 -42.58 99.67 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.11 -43.91 81.26 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.583 -0.951 . . . . 0.0 110.154 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.56 -34.62 77.43 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.56 -0.713 . . . . 0.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 N--CA 1.5 2.072 0 O-C-N 121.366 -0.834 . . . . 0.0 109.871 179.616 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.516 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -42.31 98.86 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.411 -1.052 . . . . 0.0 110.156 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -39.89 95.43 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.422 -0.799 . . . . 0.0 109.957 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -77.13 -41.69 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.407 -0.808 . . . . 0.0 109.906 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.49 -47.5 72.97 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.551 -0.718 . . . . 0.0 110.564 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -48.41 79.41 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.396 -0.815 . . . . 0.0 109.943 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.2 mmm -61.44 -37.87 85.1 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.456 -0.777 . . . . 0.0 109.798 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -40.12 90.12 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.613 -0.679 . . . . 0.0 110.134 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -43.01 81.65 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.71 -0.619 . . . . 0.0 109.932 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -57.34 -35.28 69.7 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.576 -0.702 . . . . 0.0 110.236 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -73.47 -46.03 50.64 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.518 -0.739 . . . . 0.0 110.042 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 21' ' ' ILE . 25.1 mm -64.75 -37.09 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.496 -0.753 . . . . 0.0 110.138 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -79.02 -38.84 35.56 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.631 -0.668 . . . . 0.0 109.914 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.55 99.55 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.93 -27.91 69.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.607 -0.937 . . . . 0.0 110.094 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.19 -34.4 49.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.478 -0.764 . . . . 0.0 110.202 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 . . . . . 0 N--CA 1.5 2.027 0 O-C-N 121.312 -0.868 . . . . 0.0 110.191 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.656 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -40.99 93.62 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.581 -0.952 . . . . 0.0 110.072 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -65.39 -40.09 93.03 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.506 -0.746 . . . . 0.0 110.142 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 mm -76.53 -40.15 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.45 -0.782 . . . . 0.0 109.742 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.71 71.55 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.48 -0.762 . . . . 0.0 110.226 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -71.81 -50.1 32.73 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.442 -0.786 . . . . 0.0 109.864 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -40.46 78.52 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.522 -0.736 . . . . 0.0 110.348 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.2 mm? -72.09 -37.88 69.49 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.435 -0.791 . . . . 0.0 110.089 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -50.52 72.0 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.65 -0.656 . . . . 0.0 110.274 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -59.23 -35.39 73.56 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.636 -0.665 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -38.6 88.81 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.26 -0.9 . . . . 0.0 109.925 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.9 mt -68.64 -34.37 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.599 -0.688 . . . . 0.0 110.018 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.18 -43.08 74.95 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.576 -0.703 . . . . 0.0 110.095 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.29 -44.7 96.56 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.83 -38.07 81.01 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.588 -0.948 . . . . 0.0 110.398 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.98 -48.23 77.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.408 -0.807 . . . . 0.0 110.115 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.882 0 O-C-N 121.407 -0.808 . . . . 0.0 109.777 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.587 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -56.75 -30.59 63.72 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.145 -1.209 . . . . 0.0 110.672 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -68.54 -47.44 66.89 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.301 -0.874 . . . . 0.0 109.413 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.603 HG22 HD13 ' A' ' 17' ' ' LEU . 2.8 mp -74.92 -33.61 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.592 -0.692 . . . . 0.0 109.896 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.98 62.76 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.557 -0.714 . . . . 0.0 110.711 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.47 -42.89 99.8 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.314 -0.866 . . . . 0.0 110.117 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.7 ttp -63.12 -42.92 99.61 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.489 -0.757 . . . . 0.0 110.091 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.603 HD13 HG22 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.3 -30.35 63.33 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.407 -0.808 . . . . 0.0 110.403 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -60.03 -52.84 63.67 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.598 -0.688 . . . . 0.0 110.121 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.4 m -61.38 -40.15 93.26 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.47 -0.769 . . . . 0.0 110.012 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -44.11 90.67 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.59 -0.694 . . . . 0.0 110.129 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mt -63.38 -30.42 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.568 -0.707 . . . . 0.0 110.327 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -50.03 75.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.411 -0.806 . . . . 0.0 109.717 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.45 -37.53 79.0 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.81 -41.86 97.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.478 -1.013 . . . . 0.0 109.759 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -34.92 79.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.557 -0.715 . . . . 0.0 110.484 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 N--CA 1.499 1.976 0 O-C-N 121.37 -0.831 . . . . 0.0 109.958 179.791 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.55 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -56.25 -41.16 75.32 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.489 -1.006 . . . . 0.0 110.859 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -58.08 -51.12 71.01 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.312 -0.868 . . . . 0.0 110.244 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.23 -39.18 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.465 -0.772 . . . . 0.0 109.731 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.88 73.69 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 0.0 110.263 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -44.16 78.51 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.401 -0.812 . . . . 0.0 109.974 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.0 mtt -60.96 -38.35 85.61 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 110.291 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.88 -35.09 79.23 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.424 -0.798 . . . . 0.0 110.359 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -44.71 69.75 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.44 -0.788 . . . . 0.0 110.234 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -61.9 -39.45 92.02 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.445 -0.785 . . . . 0.0 110.301 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.76 -39.91 91.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.543 -0.723 . . . . 0.0 110.494 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.8 mt -67.58 -33.95 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.461 -0.775 . . . . 0.0 110.189 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -46.44 83.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.543 -0.723 . . . . 0.0 110.263 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.53 -38.44 95.73 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -63.06 -42.49 99.72 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.477 -1.014 . . . . 0.0 110.185 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -41.95 96.74 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.504 -0.748 . . . . 0.0 110.315 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 O-C-N 121.413 -0.805 . . . . 0.0 109.99 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.745 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -57.17 -33.79 67.8 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.171 -1.193 . . . . 0.0 110.578 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -71.92 -39.91 69.14 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.37 -0.831 . . . . 0.0 109.951 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.8 mt -74.53 -46.77 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.775 . . . . 0.0 109.703 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.41 92.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.575 -0.703 . . . . 0.0 110.213 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.55 -44.29 97.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.429 -0.794 . . . . 0.0 109.779 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.7 mtm -63.77 -38.48 91.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.445 -0.785 . . . . 0.0 109.592 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.55 -35.18 75.41 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.66 -0.65 . . . . 0.0 109.682 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -59.69 -41.39 90.61 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -36.44 82.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.699 -0.626 . . . . 0.0 109.893 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -42.33 99.65 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.481 -0.762 . . . . 0.0 109.631 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -66.9 -33.22 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.635 -0.666 . . . . 0.0 109.893 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -44.85 92.7 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.621 -0.674 . . . . 0.0 109.79 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.66 -39.48 97.96 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.196 -1.561 . . . . 0.0 109.196 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.2 -42.67 86.69 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.522 -0.987 . . . . 0.0 109.711 179.231 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -34.89 69.3 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.511 -0.743 . . . . 0.0 110.129 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.07 0 O-C-N 121.52 -0.737 . . . . 0.0 110.177 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.625 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -61.28 -41.14 96.44 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.483 -1.01 . . . . 0.0 109.687 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -41.47 75.47 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.515 -0.741 . . . . 0.0 109.388 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.15 -40.92 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.626 -0.671 . . . . 0.0 109.247 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.78 76.77 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.551 -0.718 . . . . 0.0 110.186 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -47.18 82.38 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.39 -0.819 . . . . 0.0 109.526 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.5 tpp -72.88 -29.47 63.19 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.421 -0.799 . . . . 0.0 109.99 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.2 tp -57.75 -41.15 81.35 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.599 -0.688 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -61.48 -43.91 98.02 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.586 -0.696 . . . . 0.0 109.322 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 m -63.61 -38.16 90.08 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.685 -0.634 . . . . 0.0 109.542 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -63.13 -41.26 99.28 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.719 -0.613 . . . . 0.0 109.868 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.5 -36.35 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.549 -0.72 . . . . 0.0 109.879 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -69.91 -44.56 69.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.556 -0.715 . . . . 0.0 109.926 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.44 -43.48 98.69 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -41.1 92.85 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.605 -0.938 . . . . 0.0 110.013 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.57 -42.43 96.62 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.524 -0.735 . . . . 0.0 110.109 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 N--CA 1.496 1.83 0 O-C-N 121.446 -0.784 . . . . 0.0 109.846 179.427 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.434 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -55.57 -38.67 69.65 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.495 -1.003 . . . . 0.0 111.135 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -45.4 93.49 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.377 -0.827 . . . . 0.0 110.489 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.74 -35.94 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.337 -0.852 . . . . 0.0 109.908 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.89 74.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.404 -0.81 . . . . 0.0 110.218 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.09 -44.99 95.46 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 110.262 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.5 mtm -66.84 -41.97 86.55 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.546 -0.721 . . . . 0.0 110.408 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.06 -26.97 61.48 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.458 -0.777 . . . . 0.0 110.615 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -58.58 -51.73 68.64 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.616 -0.677 . . . . 0.0 110.349 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -62.64 -33.47 75.1 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 110.439 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -47.56 72.09 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.366 -0.834 . . . . 0.0 110.343 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -65.35 -33.83 66.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.459 -0.776 . . . . 0.0 110.345 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -45.12 91.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.499 -0.751 . . . . 0.0 109.863 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.65 -38.54 93.31 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.3 -42.2 90.81 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.588 -0.948 . . . . 0.0 110.235 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.47 -39.22 88.67 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.54 -0.725 . . . . 0.0 109.986 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.438 -0.789 . . . . 0.0 109.98 179.36 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.686 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -62.8 -44.69 95.51 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.596 -0.943 . . . . 0.0 109.779 179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -43.47 97.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.57 -0.706 . . . . 0.0 109.451 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -66.26 -40.96 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.662 -0.649 . . . . 0.0 109.402 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.44 -42.42 70.55 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.634 -0.667 . . . . 0.0 109.928 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.64 -43.61 84.18 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.461 -0.775 . . . . 0.0 109.548 178.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 tpt -58.98 -39.13 80.84 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.688 -0.633 . . . . 0.0 110.237 179.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -42.8 96.01 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.586 -0.696 . . . . 0.0 110.131 179.65 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -60.24 -44.18 95.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.761 -0.587 . . . . 0.0 110.132 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t -65.94 -36.01 82.19 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.48 -0.763 . . . . 0.0 110.402 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -62.33 -47.37 84.54 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.361 -0.837 . . . . 0.0 110.491 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.1 mp -62.45 -35.76 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.478 -0.764 . . . . 0.0 110.169 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -67.79 -42.82 81.04 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.598 -0.689 . . . . 0.0 109.884 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.29 96.92 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 21' ' ' ILE . 25.3 mt -61.58 -40.84 96.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.605 -0.938 . . . . 0.0 109.922 179.264 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.76 -40.17 94.23 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.671 -0.643 . . . . 0.0 109.852 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.809 0 O-C-N 121.482 -0.761 . . . . 0.0 110.206 179.526 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.63 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.45 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 1.1 tt0 -60.74 -31.06 70.4 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.41 -1.053 . . . . 0.0 110.43 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.26 72.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.178 -0.951 . . . . 0.0 110.636 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.2 mt -92.28 -58.14 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.349 -0.845 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.83 -51.06 62.35 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.452 -0.78 . . . . 0.0 111.686 -178.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 11' ' ' GLN . 2.4 tt0 -63.42 -49.7 72.69 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.23 -0.919 . . . . 0.0 110.645 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -41.46 98.89 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.328 -0.858 . . . . 0.0 110.8 -179.858 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.0 mm? -63.01 -32.2 73.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.221 -0.924 . . . . 0.0 110.504 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -49.74 76.46 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.519 -0.738 . . . . 0.0 109.832 179.563 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -73.95 -33.32 63.86 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.94 179.166 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -60.91 -37.2 81.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.554 -0.716 . . . . 0.0 110.28 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -36.37 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.496 -0.753 . . . . 0.0 109.977 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.08 -41.69 67.05 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.519 -0.738 . . . . 0.0 110.034 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.99 -44.54 88.43 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.26 -40.88 82.99 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.613 -0.933 . . . . 0.0 110.199 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.94 -34.9 79.17 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.494 -0.754 . . . . 0.0 110.291 179.551 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.892 0 O-C-N 121.367 -0.833 . . . . 0.0 110.272 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.539 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -55.88 3.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.033 -1.275 . . . . 0.0 109.843 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -21.09 30.99 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.626 -0.672 . . . . 0.0 110.437 179.45 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.94 -31.67 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.277 -0.889 . . . . 0.0 110.231 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.11 -51.68 67.04 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.401 -0.812 . . . . 0.0 110.3 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -43.9 94.16 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.615 -0.678 . . . . 0.0 109.936 179.55 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -35.32 78.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.396 -0.815 . . . . 0.0 109.737 179.005 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.5 tp -68.52 -32.5 72.5 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.506 -0.746 . . . . 0.0 109.92 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -47.92 84.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.544 -0.723 . . . . 0.0 109.862 179.212 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 p -74.75 -34.81 62.58 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.546 -0.721 . . . . 0.0 109.631 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -65.05 -43.4 92.44 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.508 -0.745 . . . . 0.0 109.97 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.7 mm -63.02 -33.96 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.509 -0.745 . . . . 0.0 109.915 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -64.12 -42.79 96.72 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.511 -0.743 . . . . 0.0 109.62 179.18 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.91 -37.79 93.62 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.191 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -30.96 61.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.463 -1.022 . . . . 0.0 110.089 179.277 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 -18.04 63.76 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.476 -0.765 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.5 2.072 0 O-C-N 121.194 -0.941 . . . . 0.0 110.166 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.553 ' HA2' HD12 ' A' ' 13' ' ' ILE . . . . . . . . 0 N--CA 1.493 2.499 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -57.07 -33.99 67.82 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.159 -1.201 . . . . 0.0 110.264 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -81.14 -41.96 21.64 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.322 -0.861 . . . . 0.0 109.501 179.147 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.553 HD12 ' HA2' ' A' ' 10' ' ' GLY . 16.5 mt -64.07 -39.02 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.645 -0.66 . . . . 0.0 109.689 179.361 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.91 94.78 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.575 -0.703 . . . . 0.0 110.301 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.61 -41.8 95.95 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.43 -0.794 . . . . 0.0 109.992 179.542 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -46.46 77.8 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.49 -0.756 . . . . 0.0 109.569 179.395 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.7 -37.78 88.63 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.543 -0.723 . . . . 0.0 109.794 179.131 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -58.56 -41.32 85.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.719 -0.613 . . . . 0.0 109.836 179.231 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t -62.52 -41.86 99.14 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.537 -0.727 . . . . 0.0 109.774 179.221 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -40.33 89.9 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.586 -0.696 . . . . 0.0 109.758 179.155 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.37 -36.35 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.548 -0.72 . . . . 0.0 109.635 179.192 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.88 85.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.771 -0.581 . . . . 0.0 109.961 179.24 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.32 -43.14 99.75 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.66 -28.37 68.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.602 -0.94 . . . . 0.0 109.887 178.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -38.65 71.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.593 -0.692 . . . . 0.0 110.302 179.555 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.499 2.011 0 O-C-N 121.409 -0.807 . . . . 0.0 109.749 179.244 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.732 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -57.24 -47.41 81.45 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.542 -0.975 . . . . 0.0 110.088 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -68.68 -42.98 77.08 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.503 -0.748 . . . . 0.0 110.128 179.484 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.3 mt -63.03 -44.95 99.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.413 -0.804 . . . . 0.0 109.677 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.21 81.26 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.541 -0.724 . . . . 0.0 110.175 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.45 -46.52 86.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.386 -0.821 . . . . 0.0 109.814 179.462 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 tpt -68.82 -36.07 77.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.558 -0.714 . . . . 0.0 109.606 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.06 -19.39 61.84 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.633 -0.667 . . . . 0.0 110.549 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -56.24 -48.22 76.94 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.576 -0.703 . . . . 0.0 110.181 179.746 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -64.41 -39.44 93.85 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.57 -0.706 . . . . 0.0 110.099 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -60.51 -39.73 88.85 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.465 -0.772 . . . . 0.0 109.984 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 mt -68.51 -35.18 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.448 -0.783 . . . . 0.0 109.77 179.281 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.536 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 2.1 tp60 -65.66 -31.45 72.47 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.765 -0.584 . . . . 0.0 110.583 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.21 -48.57 67.86 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.67 -30.09 61.47 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.465 -1.02 . . . . 0.0 110.022 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 22' ' ' GLN . 16.3 mt -67.16 -27.0 66.93 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.495 -0.753 . . . . 0.0 110.611 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.502 2.152 0 O-C-N 121.39 -0.819 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.492 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -55.22 -41.92 72.69 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.213 -1.169 . . . . 0.0 110.647 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.3 -39.21 48.74 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.431 -0.793 . . . . 0.0 110.322 179.653 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -70.09 -35.26 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.426 -0.796 . . . . 0.0 110.197 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.6 82.53 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.528 -0.732 . . . . 0.0 110.422 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -41.37 96.72 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.561 -0.712 . . . . 0.0 109.657 179.326 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 ttm -72.67 -36.94 68.04 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.474 -0.766 . . . . 0.0 109.989 179.105 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -29.72 70.6 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.401 -0.812 . . . . 0.0 110.458 179.658 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -44.62 87.7 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.607 -0.683 . . . . 0.0 109.327 179.286 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -73.07 -34.27 66.14 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.655 -0.653 . . . . 0.0 109.319 178.594 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -61.51 -39.39 90.83 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.668 -0.645 . . . . 0.0 109.706 179.081 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.99 -34.88 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.528 -0.733 . . . . 0.0 109.922 179.298 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -62.39 -49.78 74.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.589 -0.694 . . . . 0.0 109.776 179.514 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.42 99.87 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.09 -44.79 87.8 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.631 -0.923 . . . . 0.0 110.084 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.95 -40.49 89.19 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 0.0 109.935 179.339 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.655 -0.653 . . . . 0.0 109.665 179.246 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.492 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 10.7 pt20 -56.28 -38.79 71.67 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.857 -1.378 . . . . 0.0 111.025 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 2.6 ttp-105 -84.86 -35.64 22.1 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.137 -0.977 . . . . 0.0 109.931 179.317 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.11 -36.13 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.467 -0.77 . . . . 0.0 110.275 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.93 83.54 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.438 -0.789 . . . . 0.0 110.544 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -43.28 90.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.457 -0.777 . . . . 0.0 110.143 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.7 ttp -68.0 -35.88 79.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.483 -0.761 . . . . 0.0 110.326 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 tp -75.72 -25.22 56.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.278 -0.888 . . . . 0.0 110.426 179.586 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -59.88 -49.64 76.89 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.507 -0.745 . . . . 0.0 110.261 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.2 p -64.67 -35.06 79.8 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.484 -0.76 . . . . 0.0 110.217 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -63.85 -47.92 78.82 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.508 -0.745 . . . . 0.0 110.155 179.586 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.28 -33.25 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.416 -0.803 . . . . 0.0 110.061 179.639 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -62.0 -48.95 78.01 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.493 -0.754 . . . . 0.0 109.755 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.25 93.16 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.149 -1.581 . . . . 0.0 109.149 178.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.41 -40.63 97.73 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.62 -0.93 . . . . 0.0 109.926 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -41.06 91.38 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.56 -0.713 . . . . 0.0 110.139 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.488 -0.757 . . . . 0.0 110.264 179.867 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.614 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.64 -40.66 88.38 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.324 -1.103 . . . . 0.0 109.871 179.334 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -79.94 -41.52 25.86 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.556 -0.715 . . . . 0.0 110.005 179.504 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.13 -38.09 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.494 -0.754 . . . . 0.0 110.224 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.2 -38.21 68.1 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.503 -0.748 . . . . 0.0 110.49 179.515 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.47 -41.26 66.25 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.443 -0.786 . . . . 0.0 110.042 179.353 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -45.64 78.3 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.343 -0.848 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -24.39 64.73 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.475 -0.766 . . . . 0.0 110.285 179.651 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -44.08 84.4 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.671 -0.643 . . . . 0.0 110.163 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -63.43 -39.3 94.11 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.559 -0.713 . . . . 0.0 110.033 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -40.48 94.87 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.453 -0.78 . . . . 0.0 109.946 179.527 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 mt -72.87 -32.44 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.478 -0.764 . . . . 0.0 110.267 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -60.68 -47.27 86.99 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.529 -0.732 . . . . 0.0 109.972 179.784 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.65 -42.99 98.55 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.044 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.09 -40.15 94.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.67 -0.9 . . . . 0.0 109.902 179.199 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.73 -39.41 93.59 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.563 -0.71 . . . . 0.0 110.132 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.507 -0.746 . . . . 0.0 110.158 179.543 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.51 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -57.38 -40.09 77.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.523 -0.987 . . . . 0.0 110.224 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -46.14 73.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.526 -0.733 . . . . 0.0 110.132 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.6 mt -71.66 -36.54 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.37 -0.831 . . . . 0.0 110.309 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.58 -48.36 74.94 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -0.796 . . . . 0.0 110.603 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.7 -43.38 80.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.43 -0.794 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 43.9 mmm -61.38 -36.27 79.8 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.53 -0.731 . . . . 0.0 110.158 179.375 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.28 -33.26 65.13 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.524 -0.735 . . . . 0.0 110.499 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -43.82 98.3 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.571 -0.706 . . . . 0.0 110.43 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -72.26 -35.16 68.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.332 -0.855 . . . . 0.0 110.101 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -62.25 -47.13 85.72 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.494 -0.754 . . . . 0.0 110.114 179.415 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.98 -33.75 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.434 -0.791 . . . . 0.0 110.108 179.44 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -40.81 87.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.672 -0.643 . . . . 0.0 109.972 179.348 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.84 -41.55 97.45 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -50.75 71.5 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.597 -0.943 . . . . 0.0 110.027 179.523 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.28 -41.85 99.04 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.579 -0.701 . . . . 0.0 109.951 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 O-C-N 121.446 -0.784 . . . . 0.0 110.023 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.608 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -43.84 98.07 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.462 -1.023 . . . . 0.0 109.702 179.422 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -47.44 77.68 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.47 -0.769 . . . . 0.0 109.594 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.41 -42.39 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.625 -0.672 . . . . 0.0 109.635 179.246 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.66 91.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.493 -0.754 . . . . 0.0 110.527 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.53 -41.64 94.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.428 -0.795 . . . . 0.0 110.437 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.33 -32.94 74.85 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.419 -0.801 . . . . 0.0 110.084 179.404 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.7 mm? -76.61 -25.41 53.85 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.384 -0.822 . . . . 0.0 110.7 179.834 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -45.72 89.66 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.476 -0.765 . . . . 0.0 110.243 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -67.25 -32.55 73.64 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.529 -0.732 . . . . 0.0 110.041 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -64.53 -40.07 94.92 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.36 -0.838 . . . . 0.0 110.108 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mp -74.93 -26.37 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.468 -0.77 . . . . 0.0 109.913 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.87 -46.98 78.12 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.558 -0.714 . . . . 0.0 110.431 179.673 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.72 95.61 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.29 -41.07 86.04 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.474 -1.015 . . . . 0.0 109.827 179.273 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -30.18 70.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.761 -0.587 . . . . 0.0 110.657 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.961 0 O-C-N 121.331 -0.855 . . . . 0.0 110.39 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.543 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -58.39 -36.36 73.42 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.578 -0.954 . . . . 0.0 110.484 179.525 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -63.88 -44.65 92.4 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.394 -0.816 . . . . 0.0 110.218 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.8 mt -80.32 -44.01 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.452 -0.78 . . . . 0.0 110.315 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 18' ' ' LYS . . . -60.81 -46.19 91.5 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.325 -0.859 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.08 -47.04 69.35 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.374 -0.829 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 ttm -63.73 -34.9 78.92 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.38 -0.825 . . . . 0.0 110.468 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tp -81.02 -31.09 34.76 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.326 -0.859 . . . . 0.0 110.116 179.485 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 20.3 tptt -55.6 -45.43 77.47 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.588 -0.695 . . . . 0.0 110.629 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.0 p -61.86 -38.14 87.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.384 -0.822 . . . . 0.0 110.359 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -68.66 -40.88 79.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.434 -0.791 . . . . 0.0 110.338 179.68 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.6 mm -66.31 -30.95 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.35 -0.844 . . . . 0.0 110.185 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -50.35 73.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.531 -0.73 . . . . 0.0 109.953 179.624 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.59 -38.88 86.72 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 179.396 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.48 -42.15 98.58 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.549 -0.971 . . . . 0.0 110.338 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tp -66.6 -38.28 86.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.523 -0.736 . . . . 0.0 110.38 179.75 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.942 0 O-C-N 121.45 -0.781 . . . . 0.0 110.184 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.581 0 N-CA-C 109.944 -1.263 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -59.71 -38.16 80.87 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.436 -1.037 . . . . 0.0 110.676 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -54.39 -42.25 70.18 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.504 -0.748 . . . . 0.0 110.286 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -88.3 -38.27 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.463 -0.773 . . . . 0.0 109.791 179.476 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 11' ' ' GLN . . . -61.8 -43.72 98.29 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.515 -0.741 . . . . 0.0 111.09 -179.848 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 2.8 tt0 -55.03 -45.54 75.19 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.288 -0.882 . . . . 0.0 110.573 -179.803 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -42.12 95.27 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.413 -0.804 . . . . 0.0 110.069 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.13 -39.38 78.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.483 -0.761 . . . . 0.0 110.403 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.553 ' HA ' HG22 ' A' ' 21' ' ' ILE . 5.0 tmtt? -64.37 -36.21 83.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.626 -0.671 . . . . 0.0 110.456 179.755 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 t -64.96 -37.44 87.64 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.196 -0.94 . . . . 0.0 109.662 179.4 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -79.17 -40.47 30.79 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.69 -0.631 . . . . 0.0 110.312 179.643 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 18' ' ' LYS . 1.3 tp -67.38 -31.5 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.379 -0.825 . . . . 0.0 110.953 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -65.56 -48.02 73.83 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.34 -0.85 . . . . 0.0 109.789 179.627 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.73 -41.31 93.82 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 179.379 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.31 -40.24 93.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.461 -1.023 . . . . 0.0 110.137 179.601 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.56 -41.07 98.69 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.458 -0.776 . . . . 0.0 110.245 179.655 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.377 -0.827 . . . . 0.0 109.455 179.339 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.495 2.624 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -40.75 73.97 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.497 -1.002 . . . . 0.0 109.541 178.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -44.14 96.86 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.576 -0.702 . . . . 0.0 110.254 179.543 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -79.68 -31.92 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.431 -0.793 . . . . 0.0 110.254 179.693 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -52.07 -54.44 30.2 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.354 -0.841 . . . . 0.0 110.454 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -66.57 -32.64 74.11 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.466 -0.771 . . . . 0.0 110.259 179.484 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -27.96 69.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.354 -0.841 . . . . 0.0 109.792 178.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mp -80.12 -24.9 40.18 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.469 -0.769 . . . . 0.0 110.14 179.34 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -62.04 -44.53 96.49 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.486 -0.759 . . . . 0.0 110.063 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 p -67.57 -35.78 79.66 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.476 -0.765 . . . . 0.0 109.88 179.413 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.13 -41.74 93.29 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.548 -0.72 . . . . 0.0 109.848 179.349 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 mm -68.68 -32.4 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.623 -0.673 . . . . 0.0 109.591 179.268 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -46.59 89.28 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.672 -0.642 . . . . 0.0 109.626 179.12 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.45 -40.86 98.08 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.034 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.53 -42.3 98.43 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.626 -0.926 . . . . 0.0 109.699 179.157 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.94 -36.89 84.91 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.596 -0.69 . . . . 0.0 110.12 179.403 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.937 0 O-C-N 121.448 -0.782 . . . . 0.0 110.016 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.476 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.33 -41.45 84.6 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.444 -1.033 . . . . 0.0 110.02 179.564 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -44.55 66.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.495 -0.753 . . . . 0.0 109.968 179.479 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.02 -39.81 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.565 -0.709 . . . . 0.0 109.742 179.427 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.29 95.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.562 -0.711 . . . . 0.0 110.154 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -70.11 -33.73 72.22 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.42 -0.8 . . . . 0.0 110.198 179.603 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -35.07 68.78 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.38 -0.825 . . . . 0.0 109.702 179.125 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.98 -26.49 23.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.577 -0.702 . . . . 0.0 110.274 179.087 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -51.79 64.26 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.596 -0.69 . . . . 0.0 110.389 179.853 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -64.98 -34.93 79.61 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.423 -0.798 . . . . 0.0 110.264 179.664 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -63.34 -40.21 96.69 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.483 -0.761 . . . . 0.0 110.141 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 mt -65.91 -39.9 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.507 -0.746 . . . . 0.0 109.605 179.467 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -71.08 -40.48 71.54 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.747 -0.596 . . . . 0.0 109.614 179.238 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.52 -44.84 96.42 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 179.272 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.17 -44.69 88.1 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.475 -1.015 . . . . 0.0 109.775 179.266 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.13 -42.7 88.75 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.608 -0.683 . . . . 0.0 109.475 178.913 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.733 -0.604 . . . . 0.0 110.091 179.558 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.763 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -43.82 94.79 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.56 -0.965 . . . . 0.0 109.357 179.167 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -43.27 97.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.694 -0.629 . . . . 0.0 109.377 178.782 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.45 -41.52 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.639 -0.663 . . . . 0.0 109.505 179.228 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.19 -39.28 66.48 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.597 -0.689 . . . . 0.0 110.234 179.444 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -69.69 -42.07 74.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.383 -0.823 . . . . 0.0 109.69 179.226 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.2 ttt -64.04 -30.6 71.66 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.527 -0.733 . . . . 0.0 110.243 179.306 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.635 HD23 HD11 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -56.52 -32.29 64.94 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.645 -0.66 . . . . 0.0 110.312 179.514 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 21' ' ' ILE . 10.3 tttt -57.19 -40.62 77.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.662 -0.649 . . . . 0.0 109.836 179.15 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -62.16 -40.89 97.52 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.542 -0.724 . . . . 0.0 110.013 179.327 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -62.29 -41.5 98.54 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.498 -0.751 . . . . 0.0 109.951 179.467 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.635 HD11 HD23 ' A' ' 17' ' ' LEU . 43.4 mt -62.43 -37.31 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.573 -0.705 . . . . 0.0 109.624 179.325 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -65.38 -39.37 92.16 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.659 -0.65 . . . . 0.0 109.7 179.148 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.62 99.8 Favored Glycine 0 N--CA 1.496 2.691 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 179.124 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.38 -37.49 85.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.602 -0.94 . . . . 0.0 109.519 178.996 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.19 -40.19 93.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.687 -0.633 . . . . 0.0 109.874 179.203 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 O-C-N 121.629 -0.67 . . . . 0.0 110.037 179.524 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.423 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -62.74 -53.58 52.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.476 -1.014 . . . . 0.0 109.862 179.562 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 13' ' ' ILE . 8.4 ptp180 -68.64 -30.83 69.63 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.393 -0.817 . . . . 0.0 110.398 179.593 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.458 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 46.0 mt -70.84 -42.63 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.17 -0.957 . . . . 0.0 109.332 179.032 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.76 79.1 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 0.0 110.388 179.426 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.46 -42.85 92.96 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.396 -0.815 . . . . 0.0 110.173 179.738 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -34.44 67.95 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.5 -0.75 . . . . 0.0 110.16 179.458 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.03 -27.42 66.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.502 -0.749 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HA ' HD12 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -54.37 -49.68 69.27 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.511 -0.743 . . . . 0.0 110.562 -179.948 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -61.26 -36.86 81.17 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.438 -0.789 . . . . 0.0 110.171 179.684 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -38.2 85.28 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.54 -0.725 . . . . 0.0 110.254 179.534 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 18' ' ' LYS . 25.1 mt -64.95 -38.94 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.528 -0.733 . . . . 0.0 110.087 179.75 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -65.17 -45.7 83.81 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.68 -0.637 . . . . 0.0 109.971 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.12 -42.84 97.9 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.94 -38.29 90.54 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.645 -0.915 . . . . 0.0 109.682 179.068 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -62.11 -38.8 90.26 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.545 -0.722 . . . . 0.0 109.983 179.3 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.463 -0.773 . . . . 0.0 109.674 179.367 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.376 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -45.41 74.71 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.582 -0.952 . . . . 0.0 110.293 179.804 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -59.82 -36.4 76.73 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.612 -0.68 . . . . 0.0 110.335 179.718 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.44 -42.63 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.465 -0.772 . . . . 0.0 110.035 179.827 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.96 95.99 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.603 -0.686 . . . . 0.0 111.158 -179.661 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.14 -52.05 67.37 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.408 -0.807 . . . . 0.0 110.399 -179.794 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.4 ttm -67.63 -36.08 80.13 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.479 -0.763 . . . . 0.0 110.312 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 21' ' ' ILE . 21.8 tp -69.56 -33.96 73.5 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.404 -0.81 . . . . 0.0 110.665 179.849 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -51.42 -49.65 61.21 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.596 -0.69 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.9 t -61.86 -38.45 88.32 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.592 -0.693 . . . . 0.0 109.995 179.417 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -66.46 -42.03 88.16 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.602 -0.686 . . . . 0.0 110.13 179.495 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 17' ' ' LEU . 46.3 mm -66.55 -33.52 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.552 -0.717 . . . . 0.0 110.05 179.569 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -58.65 -49.23 78.3 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.541 -0.724 . . . . 0.0 109.492 179.323 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.56 -44.47 63.86 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.088 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -44.4 87.79 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.528 -0.984 . . . . 0.0 110.17 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.96 -44.47 94.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.623 -0.673 . . . . 0.0 109.979 179.424 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 N--CA 1.496 1.848 0 O-C-N 121.452 -0.78 . . . . 0.0 109.874 179.476 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 121.157 0.503 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.446 ' HB3' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -140.4 106.5 5.21 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.306 -0.871 . . . . 0.0 110.378 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -108.49 -49.7 3.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.454 -0.779 . . . . 0.0 110.459 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.27 -49.13 8.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.462 -0.774 . . . . 0.0 110.427 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.47 78.94 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.452 -0.78 . . . . 0.0 110.72 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.2 OUTLIER -64.59 -42.53 95.53 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.257 -0.902 . . . . 0.0 110.192 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 7' ' ' ILE . 22.9 mm -66.56 -37.33 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.433 -0.792 . . . . 0.0 110.44 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -43.84 93.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.272 -0.892 . . . . 0.0 110.058 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.08 95.18 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.525 -0.734 . . . . 0.0 110.21 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.79 -40.16 97.15 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.166 -1.574 . . . . 0.0 109.166 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.5 -44.07 96.35 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.573 -0.957 . . . . 0.0 109.775 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -66.85 -43.66 83.06 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.545 -0.722 . . . . 0.0 109.963 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.55 -42.9 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.434 -0.791 . . . . 0.0 109.875 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.74 89.34 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.569 -0.707 . . . . 0.0 110.697 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -46.75 87.75 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.325 -0.859 . . . . 0.0 110.11 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -41.83 73.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.476 -0.765 . . . . 0.0 110.056 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.06 -32.24 73.73 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.454 -0.779 . . . . 0.0 110.437 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -49.21 78.48 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.432 -0.792 . . . . 0.0 109.799 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 m -67.84 -33.43 74.75 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.608 -0.683 . . . . 0.0 110.137 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -62.31 -41.75 98.8 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.391 -0.818 . . . . 0.0 110.241 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.09 -33.44 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.522 -0.736 . . . . 0.0 109.943 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -45.88 89.12 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.467 -0.77 . . . . 0.0 109.721 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.33 -38.98 96.58 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.38 -40.16 95.27 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.492 -1.005 . . . . 0.0 110.191 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.29 -44.19 97.09 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.439 -0.788 . . . . 0.0 110.309 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -41.33 97.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.505 -0.747 . . . . 0.0 109.904 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -39.43 89.89 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.487 -0.758 . . . . 0.0 110.026 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.55 -40.58 92.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.622 -0.673 . . . . 0.0 110.269 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -65.82 -39.06 90.5 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.622 -0.674 . . . . 0.0 109.992 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -36.67 83.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.443 -0.785 . . . . 0.0 110.139 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -25.45 65.55 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.438 -0.789 . . . . 0.0 110.443 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.18 -37.79 13.13 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.365 -0.834 . . . . 0.0 110.526 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -89.73 -51.38 5.54 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.379 -0.825 . . . . 0.0 110.683 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 35' ' ' ILE . 5.3 m-20 53.64 28.32 7.82 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.724 -0.61 . . . . 0.0 111.286 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 34' ' ' ASP . 27.4 pt 34.44 42.82 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.523 0 CA-C-O 121.15 0.5 . . . . 0.0 111.777 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -134.16 88.95 29.69 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.286 -0.883 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.46 138.22 29.4 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.808 1.425 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.01 -48.51 4.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.513 -0.742 . . . . 0.0 110.581 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 40' ' ' GLN . 12.4 ptm -75.71 -23.28 56.09 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.405 -0.809 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 39' ' ' MET . 24.6 mt-30 . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.262 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.103 0.478 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t -96.66 156.72 16.22 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.418 -0.801 . . . . 0.0 110.256 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 4' ' ' ALA . 11.4 ptt85 -61.6 -31.68 71.75 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.585 -0.697 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 3' ' ' ARG . . . -74.15 -41.68 61.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.239 -0.913 . . . . 0.0 110.137 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.82 84.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.561 -0.712 . . . . 0.0 110.57 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.83 -42.38 99.71 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.445 -0.784 . . . . 0.0 110.4 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.1 mt -70.46 -39.36 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.378 -0.826 . . . . 0.0 110.085 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.77 -43.59 94.29 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.524 -0.735 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.58 -53.39 56.95 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.515 -0.74 . . . . 0.0 110.457 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -38.47 96.25 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.53 -46.64 89.4 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.245 -1.15 . . . . 0.0 110.427 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' MET . 0.0 OUTLIER -60.88 -34.64 74.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.453 -0.78 . . . . 0.0 111.048 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mm -89.41 -33.27 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.362 -0.836 . . . . 0.0 110.721 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.35 -62.26 1.73 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.428 -0.795 . . . . 0.0 111.265 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -67.79 -34.91 77.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.348 -0.845 . . . . 0.0 110.768 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -60.56 -47.65 85.24 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.333 -0.854 . . . . 0.0 110.272 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -81.0 -20.38 41.91 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.457 -0.777 . . . . 0.0 110.93 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' HG22 ' A' ' 21' ' ' ILE . 33.2 tttt -62.87 -46.9 85.71 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.307 -0.871 . . . . 0.0 109.947 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.5 m -71.21 -36.7 71.97 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.373 -0.83 . . . . 0.0 109.503 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -67.71 -42.09 82.5 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.65 -0.656 . . . . 0.0 110.479 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 18' ' ' LYS . 2.7 tp -61.9 -29.75 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.241 -0.912 . . . . 0.0 110.199 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -39.58 63.08 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.461 -0.775 . . . . 0.0 109.684 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.2 -39.64 36.3 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 24' ' ' LEU . 2.4 mm? -60.03 -43.22 95.46 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.501 -0.999 . . . . 0.0 110.351 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.38 -44.0 97.92 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.511 -0.743 . . . . 0.0 110.255 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -73.5 -33.29 64.73 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.516 -0.74 . . . . 0.0 110.365 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -66.9 -41.81 86.54 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.438 -0.789 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.91 96.29 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.685 -0.635 . . . . 0.0 110.256 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 t -71.61 -35.58 70.53 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.729 -0.607 . . . . 0.0 110.537 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -38.53 82.02 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.261 -0.9 . . . . 0.0 111.214 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -63.71 -39.45 94.33 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.908 -1.12 . . . . 0.0 111.343 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.49 -34.68 13.99 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.399 -0.813 . . . . 0.0 112.163 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.1 -3.12 26.33 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.098 -1.001 . . . . 0.0 112.227 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -146.03 76.07 1.44 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.813 -1.18 . . . . 0.0 110.554 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 35' ' ' ILE . 2.5 mp -81.95 52.29 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.358 -0.839 . . . . 0.0 109.34 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -91.07 152.27 44.01 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.349 -0.845 . . . . 0.0 110.398 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.38 167.23 26.89 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.886 1.466 . . . . 0.0 110.428 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.84 -42.68 4.87 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.473 -0.767 . . . . 0.0 110.633 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.0 ttp -88.18 -49.93 6.69 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.355 -0.841 . . . . 0.0 110.413 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.243 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 120.982 0.42 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -96.63 158.07 15.61 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.437 -0.789 . . . . 0.0 110.33 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -61.21 -49.86 75.43 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.47 -0.769 . . . . 0.0 109.837 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.91 83.07 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.625 -0.672 . . . . 0.0 109.855 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.97 85.42 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.61 -0.681 . . . . 0.0 110.133 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.94 -38.81 87.14 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.51 -0.744 . . . . 0.0 110.087 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.7 mt -72.49 -35.64 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.535 -0.728 . . . . 0.0 109.904 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.5 -46.55 86.49 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.603 -0.686 . . . . 0.0 110.188 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.2 -28.27 42.61 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.395 -0.816 . . . . 0.0 110.036 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.42 -17.47 64.27 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -55.2 -45.81 75.87 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.193 -1.181 . . . . 0.0 110.534 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 12.7 tpt85 -86.07 -25.71 25.72 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.295 -0.878 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.8 mm -81.49 -23.7 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.144 -0.972 . . . . 0.0 110.489 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.74 84.53 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.404 -0.81 . . . . 0.0 111.091 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 11.1 pt-20 -58.27 -34.76 70.85 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.212 -0.93 . . . . 0.0 110.429 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.4 mtp -79.09 -43.29 24.43 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.368 -0.832 . . . . 0.0 109.864 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.1 mm? -68.5 -24.33 64.66 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.459 -0.776 . . . . 0.0 110.72 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.18 -48.74 80.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 0.0 110.098 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -60.84 -36.93 80.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.473 -0.767 . . . . 0.0 110.222 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -54.78 19.01 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.56 -0.712 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.69 -34.28 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.517 -0.739 . . . . 0.0 110.255 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.87 -42.39 66.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.494 -0.754 . . . . 0.0 109.899 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.53 -39.86 93.7 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.17 -44.41 95.52 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.481 -1.011 . . . . 0.0 109.87 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.427 ' HA ' HD13 ' A' ' 25' ' ' LEU . 3.6 mm? -73.45 -36.71 65.94 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.512 -0.743 . . . . 0.0 110.423 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -59.94 -37.97 81.07 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.536 -0.727 . . . . 0.0 110.634 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -33.99 73.42 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.362 -0.836 . . . . 0.0 110.376 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.39 -24.41 29.66 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.52 -0.738 . . . . 0.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.6 p -85.75 -20.34 29.42 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.328 -0.857 . . . . 0.0 111.51 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -55.31 -37.93 68.02 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.238 -0.914 . . . . 0.0 110.922 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -50.04 68.53 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.283 -0.886 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.24 -23.96 28.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.37 -0.831 . . . . 0.0 110.608 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -54.55 -39.91 68.17 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 110.999 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.562 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -120.98 -52.22 2.1 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.321 -0.862 . . . . 0.0 110.401 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER 39.6 37.91 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-O 121.369 0.604 . . . . 0.0 111.884 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -146.11 165.45 20.5 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.196 -0.94 . . . . 0.0 110.215 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.67 116.7 4.81 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.827 1.435 . . . . 0.0 110.282 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.39 19.79 16.04 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.545 -0.722 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.3 mtp -76.04 -32.85 59.55 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.241 -0.912 . . . . 0.0 110.329 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.12 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 121.044 0.449 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -133.8 143.74 48.57 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.484 -0.76 . . . . 0.0 110.33 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -105.97 -51.07 3.04 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.429 -0.795 . . . . 0.0 110.419 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -56.58 -46.35 80.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.543 -0.723 . . . . 0.0 110.48 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.97 84.7 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.518 -0.739 . . . . 0.0 110.388 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.86 -45.54 89.88 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.491 -0.755 . . . . 0.0 110.019 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 4' ' ' ALA . 13.6 mt -64.76 -40.85 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.558 -0.714 . . . . 0.0 109.508 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.29 -35.75 79.98 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.606 -0.684 . . . . 0.0 110.143 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.28 -49.56 73.54 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.507 -0.746 . . . . 0.0 110.181 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.31 -41.24 96.78 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -57.99 -39.63 78.72 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.415 -1.05 . . . . 0.0 109.673 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -74.1 -39.75 63.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.61 -0.681 . . . . 0.0 109.741 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.11 -42.15 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.609 -0.682 . . . . 0.0 109.748 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.98 71.08 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.545 -0.722 . . . . 0.0 110.181 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -41.22 28.3 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.538 -0.726 . . . . 0.0 110.094 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.5 tpt -59.48 -35.91 75.01 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.394 -0.816 . . . . 0.0 110.602 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 tp -68.66 -35.29 77.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.258 -0.901 . . . . 0.0 110.308 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -43.79 67.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.486 -0.759 . . . . 0.0 110.474 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.4 p -66.95 -25.91 66.58 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.334 -0.854 . . . . 0.0 110.687 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -45.57 31.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.246 -0.909 . . . . 0.0 110.116 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.78 -34.42 56.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.467 -0.771 . . . . 0.0 110.462 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.98 -41.98 15.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.378 -0.826 . . . . 0.0 110.257 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.83 -44.52 97.75 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.21 -50.27 74.67 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.632 -0.922 . . . . 0.0 110.001 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.18 -42.81 99.24 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.56 -0.712 . . . . 0.0 109.706 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -62.33 -42.36 99.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.637 -0.664 . . . . 0.0 109.836 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -70.53 -30.98 67.87 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.548 -0.72 . . . . 0.0 110.571 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.81 -3.4 53.85 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.524 -0.735 . . . . 0.0 111.067 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 t -86.48 -63.7 1.27 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.201 -0.937 . . . . 0.0 109.925 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.61 -40.32 88.77 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.382 -0.824 . . . . 0.0 110.232 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -39.0 84.38 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.253 -0.904 . . . . 0.0 110.459 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.02 -20.21 42.23 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.268 -0.895 . . . . 0.0 110.81 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -90.28 -52.02 5.14 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.206 -0.934 . . . . 0.0 110.16 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.58 -43.41 55.77 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.48 -0.762 . . . . 0.0 109.875 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.5 mm -114.15 56.48 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.521 -0.737 . . . . 0.0 109.377 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -56.8 140.95 75.3 Favored Pre-proline 0 N--CA 1.5 2.048 0 O-C-N 121.438 -0.789 . . . . 0.0 110.806 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.42 95.08 0.77 Allowed 'Trans proline' 0 C--N 1.316 -1.174 0 O-C-N 123.999 1.526 . . . . 0.0 110.619 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.09 -35.38 12.59 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.458 -0.776 . . . . 0.0 110.551 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.7 ttp -95.91 -48.48 5.7 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.41 -0.806 . . . . 0.0 110.107 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 . . . . . 0 N--CA 1.498 1.942 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.649 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 120.997 0.427 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -146.89 129.64 16.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.415 -0.803 . . . . 0.0 110.389 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -63.09 -48.03 80.34 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.638 -0.663 . . . . 0.0 110.331 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.56 93.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.474 -0.766 . . . . 0.0 110.28 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.91 79.92 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.496 -0.752 . . . . 0.0 110.251 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -40.0 95.42 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.48 -0.763 . . . . 0.0 109.902 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.6 mm -70.63 -37.86 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.517 -0.739 . . . . 0.0 109.676 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.53 -44.5 96.0 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.563 -0.711 . . . . 0.0 110.362 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.1 -49.06 79.14 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.506 -0.746 . . . . 0.0 110.098 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.08 -43.15 82.45 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -56.59 -46.0 81.09 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.417 -1.049 . . . . 0.0 110.093 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -64.62 -47.05 79.99 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.406 -0.809 . . . . 0.0 110.177 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.66 -40.8 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.396 -0.815 . . . . 0.0 109.925 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.04 98.26 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.531 -0.731 . . . . 0.0 110.645 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.65 -43.74 92.67 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.383 -0.823 . . . . 0.0 110.173 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 ttm -60.87 -37.12 81.04 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.562 -0.711 . . . . 0.0 110.19 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 tp -69.32 -41.27 76.91 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.496 -0.753 . . . . 0.0 110.358 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' A' ' 21' ' ' ILE . 7.7 mttt -57.27 -48.59 78.48 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.603 -0.685 . . . . 0.0 110.187 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -37.39 87.2 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.451 -0.781 . . . . 0.0 110.197 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -63.67 -38.14 89.99 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.422 -0.799 . . . . 0.0 110.373 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 18' ' ' LYS . 35.6 mt -66.29 -37.18 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.476 -0.765 . . . . 0.0 109.967 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -68.79 -41.77 78.27 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.53 -0.731 . . . . 0.0 110.169 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.9 -37.16 94.25 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.28 -43.15 87.22 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.45 -1.029 . . . . 0.0 110.217 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -39.15 83.86 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.394 -0.816 . . . . 0.0 110.007 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -42.56 60.0 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.554 -0.716 . . . . 0.0 110.386 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -73.72 -36.51 65.22 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.471 -0.768 . . . . 0.0 111.079 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.33 96.8 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.46 -0.775 . . . . 0.0 110.418 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 t -67.03 -39.77 87.06 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.585 -0.697 . . . . 0.0 110.147 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 37' ' ' PRO . 4.2 mmpt? -71.78 -46.72 57.4 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.442 -0.786 . . . . 0.0 109.813 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.74 -33.48 76.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.526 -0.734 . . . . 0.0 109.838 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.56 -35.79 80.59 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.377 -0.827 . . . . 0.0 109.975 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.15 -52.35 14.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.556 -0.715 . . . . 0.0 109.621 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.458 ' O ' HG23 ' A' ' 35' ' ' ILE . 6.0 m-20 -139.47 -101.73 0.16 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.551 -0.718 . . . . 0.0 109.451 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 34' ' ' ASP . 6.2 pt -153.44 10.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.091 -1.006 . . . . 0.0 111.816 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -146.9 163.32 29.39 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.822 -1.174 . . . . 0.0 110.96 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 48.3 Cg_endo -83.95 -91.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.228 0 O-C-N 123.923 1.486 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.02 20.49 15.65 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.001 -1.062 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 mmm -90.66 -42.62 10.64 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.132 -0.98 . . . . 0.0 110.471 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.462 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.85 0 CA-C-O 121.031 0.443 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 m -128.11 108.78 10.92 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.494 -0.753 . . . . 0.0 110.042 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.95 -15.85 14.6 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.423 -0.798 . . . . 0.0 111.367 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.84 75.34 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.243 -0.91 . . . . 0.0 110.635 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.22 -38.49 80.06 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.524 -0.735 . . . . 0.0 110.457 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.37 -40.49 97.41 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.631 -0.668 . . . . 0.0 110.211 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.0 mm -71.28 -40.36 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.481 -0.762 . . . . 0.0 109.964 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.56 -45.46 85.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.697 -0.627 . . . . 0.0 110.334 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -47.0 87.47 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.596 -0.69 . . . . 0.0 110.048 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.18 -34.41 69.76 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -58.01 -44.91 87.54 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.428 -1.042 . . . . 0.0 110.163 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -63.61 -45.69 89.17 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.556 -0.715 . . . . 0.0 110.031 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mt -68.11 -41.64 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.474 -0.767 . . . . 0.0 109.907 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.653 -0.654 . . . . 0.0 110.79 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -45.61 46.69 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.395 -0.816 . . . . 0.0 110.072 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -44.07 97.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.599 -0.688 . . . . 0.0 110.019 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -36.36 84.12 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.47 -0.769 . . . . 0.0 110.093 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -45.1 94.12 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.786 -0.571 . . . . 0.0 110.096 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -69.08 -36.86 78.08 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.549 -0.72 . . . . 0.0 110.387 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -64.44 -43.44 94.31 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.445 -0.785 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.586 ' HA ' HD21 ' A' ' 24' ' ' LEU . 20.9 mm -62.83 -34.37 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.604 -0.685 . . . . 0.0 110.263 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -75.7 -32.17 59.99 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.484 -0.76 . . . . 0.0 110.308 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.3 -53.79 37.0 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.586 HD21 ' HA ' ' A' ' 21' ' ' ILE . 3.6 pp -63.62 -28.28 69.81 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.394 -1.062 . . . . 0.0 110.817 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.3 -43.31 98.21 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.354 -0.841 . . . . 0.0 110.302 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.45 -42.37 14.55 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.427 -0.796 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -59.11 -42.12 89.8 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.496 -0.753 . . . . 0.0 111.156 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.15 82.42 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.504 -0.748 . . . . 0.0 111.023 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -36.4 19.66 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.436 -0.79 . . . . 0.0 110.675 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HD3' ' HB2' ' A' ' 34' ' ' ASP . 2.2 mmpt? -67.78 -26.41 66.09 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.132 -0.98 . . . . 0.0 110.726 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -44.66 -45.39 9.66 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.288 -0.882 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.62 -25.39 16.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.46 -0.775 . . . . 0.0 111.414 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.33 33.64 4.2 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.022 -1.049 . . . . 0.0 112.245 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.506 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 33.8 t70 -124.49 -97.56 0.43 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.849 -1.157 . . . . 0.0 109.925 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.557 HG23 ' O ' ' A' ' 35' ' ' ILE . 2.8 tt -166.86 75.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.912 -1.118 . . . . 0.0 110.042 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.58 126.1 61.08 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.233 -0.917 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.75 -9.82 24.27 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 O-C-N 123.985 1.518 . . . . 0.0 111.513 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.92 -30.79 68.09 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.164 -0.96 . . . . 0.0 110.756 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 45.7 mtt -82.51 -45.13 15.08 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.323 -0.861 . . . . 0.0 110.323 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.701 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.004 0.43 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -75.68 142.66 42.46 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.477 -0.764 . . . . 0.0 110.451 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.433 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -83.47 -40.11 19.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.348 -0.845 . . . . 0.0 110.019 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.768 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -60.24 -34.64 73.97 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.522 -0.736 . . . . 0.0 109.936 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.35 -36.1 60.98 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.627 -0.67 . . . . 0.0 110.721 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 3' ' ' ARG . 9.0 mt -61.57 -38.43 87.46 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.405 -0.809 . . . . 0.0 110.084 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 4' ' ' ALA . 4.6 mt -70.09 -49.61 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.456 -0.778 . . . . 0.0 110.005 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -50.94 68.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.529 -0.732 . . . . 0.0 110.457 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -67.29 -37.66 83.77 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.351 -0.843 . . . . 0.0 110.068 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.99 -36.14 79.57 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -54.43 -44.46 72.47 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.483 -1.01 . . . . 0.0 110.091 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -77.31 -36.86 53.71 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.567 -0.708 . . . . 0.0 110.014 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -62.83 -44.33 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.368 -0.833 . . . . 0.0 109.342 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.64 98.67 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.681 -0.637 . . . . 0.0 110.197 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.21 -41.67 93.54 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.573 -0.705 . . . . 0.0 110.097 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.0 mtt -62.73 -43.03 99.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.547 -0.721 . . . . 0.0 110.141 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -38.04 89.63 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.537 -0.727 . . . . 0.0 110.227 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -39.73 95.36 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.671 -0.643 . . . . 0.0 110.026 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 t -66.12 -40.32 90.6 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.408 -0.807 . . . . 0.0 109.606 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -64.27 -41.25 97.0 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.6 -0.688 . . . . 0.0 110.296 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -32.48 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.462 -0.774 . . . . 0.0 110.077 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -40.21 91.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.471 -0.768 . . . . 0.0 109.702 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.66 -39.03 93.66 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.32 -38.91 93.01 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.401 -1.058 . . . . 0.0 110.101 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.11 -36.58 84.06 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.608 -0.683 . . . . 0.0 110.203 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -78.12 -21.42 50.41 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.513 -0.742 . . . . 0.0 110.367 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -62.95 -22.06 66.52 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.362 -0.836 . . . . 0.0 111.012 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.94 -41.77 68.13 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.495 -0.753 . . . . 0.0 110.116 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.2 p -92.78 -28.91 16.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.629 -0.67 . . . . 0.0 109.771 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HB3' ' HA ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -65.73 -42.48 90.96 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.469 -0.769 . . . . 0.0 110.677 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -54.03 -28.34 37.81 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.509 -0.744 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.12 70.96 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.255 -0.903 . . . . 0.0 110.04 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -109.21 31.26 5.87 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 110.705 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.96 -57.4 3.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.158 -0.964 . . . . 0.0 110.628 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 35' ' ' ILE . 41.7 mt -103.34 50.31 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.213 -0.93 . . . . 0.0 109.532 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -121.69 74.04 33.83 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.0 110.253 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -74.93 -11.77 21.62 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.784 1.413 . . . . 0.0 111.385 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.53 19.19 6.44 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.19 -0.944 . . . . 0.0 111.406 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.2 tpt -90.21 -49.0 6.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.046 -1.034 . . . . 0.0 110.224 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.249 179.746 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 120.995 0.426 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.16 157.69 43.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.444 -0.785 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 -96.28 -41.88 8.44 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.516 -0.74 . . . . 0.0 110.311 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -85.67 -20.38 29.5 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.389 -0.819 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.75 82.95 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.213 -0.93 . . . . 0.0 110.996 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.85 -28.86 58.5 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.236 -0.915 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 4' ' ' ALA . 82.2 mt -68.91 -48.69 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.135 -0.978 . . . . 0.0 109.198 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -73.15 -31.78 64.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.55 -0.719 . . . . 0.0 109.892 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.91 -43.1 59.8 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.481 -0.762 . . . . 0.0 110.188 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.96 -40.26 99.07 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -43.34 81.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.75 -0.853 . . . . 0.0 109.549 178.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.13 -45.52 88.19 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.638 -0.664 . . . . 0.0 109.638 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -64.19 -41.77 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.555 -0.716 . . . . 0.0 109.525 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.27 89.83 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.684 -0.635 . . . . 0.0 110.154 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.52 -47.45 83.87 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.448 -0.783 . . . . 0.0 109.87 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.9 ttt -64.51 -39.81 94.47 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.493 -0.754 . . . . 0.0 110.054 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.87 -40.94 90.34 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.647 -0.658 . . . . 0.0 109.843 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -38.18 90.13 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.688 -0.633 . . . . 0.0 110.0 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -64.79 -38.38 90.78 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.404 -0.81 . . . . 0.0 109.769 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -65.48 -38.79 90.82 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.526 -0.734 . . . . 0.0 109.982 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.3 mm -68.27 -35.19 70.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.518 -0.739 . . . . 0.0 109.729 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -42.43 99.77 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.63 -0.669 . . . . 0.0 109.738 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.47 -38.58 95.95 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.98 -38.08 89.73 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.533 -0.981 . . . . 0.0 109.88 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.77 -37.78 85.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.51 -0.744 . . . . 0.0 109.968 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -62.75 -46.32 88.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.542 -0.724 . . . . 0.0 109.955 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.77 74.22 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.457 -0.777 . . . . 0.0 110.072 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' A' ' 31' ' ' GLN . . . -61.56 -27.46 68.64 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.674 -0.641 . . . . 0.0 110.503 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 m -59.87 -52.57 64.86 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.438 -0.789 . . . . 0.0 109.63 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -70.48 -37.31 74.21 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.616 -0.678 . . . . 0.0 109.765 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -63.46 -37.8 88.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.419 -0.801 . . . . 0.0 109.992 179.416 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.76 72.97 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.53 -0.731 . . . . 0.0 109.973 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -93.3 5.07 52.82 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.478 -0.764 . . . . 0.0 110.861 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.44 83.93 1.05 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.221 -0.925 . . . . 0.0 109.93 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.473 ' O ' HG22 ' A' ' 35' ' ' ILE . 2.2 mt -91.18 30.4 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.437 -0.79 . . . . 0.0 110.251 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.68 153.77 47.22 Favored Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 121.2 -0.938 . . . . 0.0 109.878 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -72.13 -80.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.835 1.439 . . . . 0.0 111.343 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.85 20.58 17.4 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.99 -1.069 . . . . 0.0 111.274 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -79.23 -27.18 42.43 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.111 -0.993 . . . . 0.0 110.72 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.261 -0.899 . . . . 0.0 110.179 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 121.131 0.491 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -79.9 142.81 34.81 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.32 -0.862 . . . . 0.0 110.245 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -49.09 3.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.492 -0.755 . . . . 0.0 110.388 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.563 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -57.31 -48.42 78.99 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.542 -0.724 . . . . 0.0 110.621 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -45.11 87.06 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.584 -0.698 . . . . 0.0 110.36 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.36 -40.82 71.74 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.665 -0.647 . . . . 0.0 110.346 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 4' ' ' ALA . 37.5 mt -65.58 -43.61 94.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.436 -0.79 . . . . 0.0 109.852 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.69 -41.77 99.29 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.577 -0.702 . . . . 0.0 110.047 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -63.82 -39.74 94.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.49 -0.756 . . . . 0.0 110.137 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.81 99.71 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.7 -40.2 82.96 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.591 -0.947 . . . . 0.0 109.794 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -65.47 -46.59 79.18 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.532 -0.73 . . . . 0.0 109.704 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 17' ' ' LEU . 44.3 mm -69.09 -37.57 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.384 -0.822 . . . . 0.0 109.642 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -39.82 74.12 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.555 -0.715 . . . . 0.0 110.435 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -46.91 61.58 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.349 -0.844 . . . . 0.0 109.7 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -38.45 81.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.391 -0.818 . . . . 0.0 109.717 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.475 HD12 HG22 ' A' ' 13' ' ' ILE . 8.7 mt -69.82 -30.3 67.78 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.526 -0.734 . . . . 0.0 110.277 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -43.76 85.02 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.614 -0.678 . . . . 0.0 110.123 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 t -63.23 -41.02 99.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.424 -0.797 . . . . 0.0 109.789 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -66.1 -43.86 86.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.633 -0.667 . . . . 0.0 110.226 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.7 mt -66.43 -32.13 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.505 -0.747 . . . . 0.0 110.108 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.44 -46.71 87.97 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.534 -0.729 . . . . 0.0 109.875 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.33 -36.53 91.79 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.17 -41.63 94.45 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.493 -1.004 . . . . 0.0 109.84 179.231 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.95 -37.34 84.36 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.414 -0.803 . . . . 0.0 109.862 179.078 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -35.99 82.21 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.54 -0.725 . . . . 0.0 109.971 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -77.5 -31.45 53.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.294 -0.878 . . . . 0.0 109.866 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -29.08 69.23 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.707 -0.621 . . . . 0.0 110.52 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.3 p -64.51 -33.81 76.77 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.464 -0.772 . . . . 0.0 110.37 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -44.02 86.16 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.392 -0.817 . . . . 0.0 110.057 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -29.81 67.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.615 -0.678 . . . . 0.0 110.489 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.45 66.72 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.249 -0.907 . . . . 0.0 110.739 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.19 -20.56 44.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.38 -0.825 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 t70 57.79 56.03 5.07 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.535 -0.728 . . . . 0.0 110.735 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 35' ' ' ILE . 41.2 mm -119.37 27.04 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.416 -0.803 . . . . 0.0 110.064 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -132.71 84.77 49.22 Favored Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 121.125 -0.984 . . . . 0.0 109.93 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -75.55 73.61 4.57 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 O-C-N 123.839 1.442 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.89 -13.48 14.12 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.316 -0.865 . . . . 0.0 111.015 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 45.1 mtm -100.79 20.5 15.17 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.098 -1.001 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.77 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.024 0.44 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.38 131.86 56.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.475 -0.766 . . . . 0.0 110.109 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -81.87 0.47 39.48 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.493 -0.755 . . . . 0.0 111.524 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.2 -25.46 63.43 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.064 -1.022 . . . . 0.0 110.856 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.47 -27.62 62.65 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.345 -0.847 . . . . 0.0 111.193 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mp -52.47 -48.86 65.62 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.31 -0.868 . . . . 0.0 110.33 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.44 -34.45 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.487 -0.758 . . . . 0.0 109.41 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.606 ' HA ' ' HB2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -62.51 -32.66 73.63 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.643 -0.661 . . . . 0.0 110.405 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.492 ' O ' HD12 ' A' ' 13' ' ' ILE . 21.5 tt0 -67.4 -19.83 65.45 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.45 -0.781 . . . . 0.0 111.205 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.73 -55.8 0.29 Allowed Glycine 0 N--CA 1.495 2.628 0 C-N-CA 119.937 -1.125 . . . . 0.0 110.357 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -54.79 22.96 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.4 -1.059 . . . . 0.0 111.017 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.606 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 1.2 mmt85 -65.13 -29.24 70.08 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.091 -1.005 . . . . 0.0 110.939 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 9' ' ' GLU . 4.6 mt -81.97 -41.01 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.189 -0.945 . . . . 0.0 110.064 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.64 -51.24 57.34 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.437 -0.79 . . . . 0.0 110.082 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.25 -44.97 93.68 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.545 -0.722 . . . . 0.0 109.614 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.5 tpp -59.83 -37.47 79.3 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.586 -0.697 . . . . 0.0 109.741 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -43.84 98.28 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.65 -0.656 . . . . 0.0 109.991 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -45.14 94.5 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.756 -0.59 . . . . 0.0 109.658 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -36.51 83.4 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.602 -0.686 . . . . 0.0 109.732 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -37.85 88.36 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.478 -0.763 . . . . 0.0 110.083 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.82 -37.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.461 -0.774 . . . . 0.0 109.699 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.65 -43.42 93.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.592 -0.692 . . . . 0.0 109.556 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.47 97.56 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.01 -40.71 85.77 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.588 -0.948 . . . . 0.0 109.954 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -61.25 -43.46 98.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.543 -0.723 . . . . 0.0 109.402 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -39.03 80.22 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.609 -0.682 . . . . 0.0 109.692 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -62.67 -33.51 75.22 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.606 -0.684 . . . . 0.0 110.506 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.44 -27.34 65.17 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.598 -0.689 . . . . 0.0 110.685 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -43.12 93.6 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.524 -0.735 . . . . 0.0 110.1 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -59.68 -37.65 79.37 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -64.67 -40.32 95.2 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.359 -0.838 . . . . 0.0 109.804 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.89 -27.66 61.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.572 -0.705 . . . . 0.0 110.182 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' HG2' ' HG3' ' A' ' 36' ' ' GLN . 33.1 mt-30 -97.11 30.7 2.66 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.573 -0.704 . . . . 0.0 110.756 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.3 -43.86 97.84 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.245 -0.909 . . . . 0.0 110.321 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.9 pt -107.62 40.24 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.481 -0.762 . . . . 0.0 110.122 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HG3' ' HG2' ' A' ' 33' ' ' GLN . 1.5 mm-40 -92.61 131.18 34.67 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.318 -0.864 . . . . 0.0 110.421 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.61 172.72 14.59 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.846 1.445 . . . . 0.0 110.641 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.46 19.46 20.54 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.533 -0.729 . . . . 0.0 110.77 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -87.5 -39.33 15.27 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.176 -0.952 . . . . 0.0 110.544 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.072 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.886 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.02 0.438 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -156.62 173.43 16.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.518 -0.739 . . . . 0.0 110.248 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -58.82 -26.5 64.2 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.485 -0.76 . . . . 0.0 110.483 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.698 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -62.69 -35.83 80.97 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.364 -0.835 . . . . 0.0 109.979 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.5 97.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.46 -0.775 . . . . 0.0 109.907 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -64.85 -33.69 76.61 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.479 -0.763 . . . . 0.0 110.073 179.336 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 4' ' ' ALA . 67.8 mt -70.56 -34.57 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.254 -0.904 . . . . 0.0 109.986 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.21 -46.69 66.78 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.352 -0.843 . . . . 0.0 110.959 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -63.29 -30.68 71.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.048 -1.033 . . . . 0.0 110.645 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.53 ' N ' ' HG3' ' A' ' 9' ' ' GLU . . . -72.37 -38.41 58.35 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -47.55 80.47 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.763 -0.845 . . . . 0.0 109.572 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -41.95 93.36 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.65 -0.656 . . . . 0.0 109.958 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mm -64.97 -42.43 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.323 -0.861 . . . . 0.0 109.139 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.16 85.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.66 -0.65 . . . . 0.0 110.045 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.66 -51.07 68.71 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.544 -0.722 . . . . 0.0 109.606 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -34.95 79.37 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.62 -0.675 . . . . 0.0 110.207 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.58 -31.88 71.38 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.388 -0.82 . . . . 0.0 110.341 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -59.07 -48.26 82.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.516 -0.74 . . . . 0.0 110.085 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -71.87 -34.12 68.94 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -48.22 76.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.553 -0.717 . . . . 0.0 110.186 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' HA ' HD13 ' A' ' 21' ' ' ILE . 23.8 mm -62.72 -33.8 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.386 -0.822 . . . . 0.0 110.155 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -43.6 84.96 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.408 -0.807 . . . . 0.0 109.862 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -40.54 59.12 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.81 -47.48 84.92 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.591 -0.946 . . . . 0.0 110.12 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.24 -39.56 90.77 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.452 -0.78 . . . . 0.0 110.06 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -63.02 -44.08 96.94 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.544 -0.722 . . . . 0.0 109.784 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -37.38 87.35 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.527 -0.733 . . . . 0.0 110.231 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.15 87.41 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.678 -0.639 . . . . 0.0 109.634 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -65.5 -41.46 93.17 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -69.58 -35.86 75.75 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.544 -0.723 . . . . 0.0 109.747 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.698 ' HG2' HD13 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -68.54 -36.09 78.34 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.624 -0.672 . . . . 0.0 109.998 179.44 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.2 -4.79 46.48 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.264 -0.897 . . . . 0.0 110.787 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.83 -50.77 39.56 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.226 -0.921 . . . . 0.0 111.02 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.407 ' O ' HG13 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -154.03 -68.04 0.14 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.147 -0.97 . . . . 0.0 111.582 -179.277 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.698 HD13 ' HG2' ' A' ' 31' ' ' GLN . 11.5 pt 37.2 47.26 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 CA-C-O 121.342 0.592 . . . . 0.0 111.599 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 7.2 pt20 -95.27 119.86 64.9 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 121.143 -0.973 . . . . 0.0 110.598 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -77.63 64.14 8.05 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 O-C-N 123.781 1.411 . . . . 0.0 110.657 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.32 -46.68 4.52 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.315 -0.865 . . . . 0.0 110.092 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 2.0 ttp -87.18 -28.63 22.3 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.528 -0.732 . . . . 0.0 110.487 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 39' ' ' MET . 12.9 pt20 . . . . . 0 N--CA 1.508 2.467 0 CA-C-O 117.85 -1.071 . . . . 0.0 111.979 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 121.49 0.662 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 p -80.4 158.92 25.85 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.332 -0.855 . . . . 0.0 110.39 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -79.18 -35.51 41.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.493 -0.754 . . . . 0.0 110.349 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.849 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -62.8 -26.74 68.88 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.592 -0.692 . . . . 0.0 110.771 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.86 77.21 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.474 -0.766 . . . . 0.0 110.598 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.59 -39.0 86.48 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.554 -0.716 . . . . 0.0 110.22 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 4' ' ' ALA . 17.9 mt -63.62 -39.81 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.443 -0.786 . . . . 0.0 109.849 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -45.3 89.59 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.437 -0.789 . . . . 0.0 110.064 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.27 -42.87 82.42 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.583 -0.698 . . . . 0.0 110.284 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.04 -42.74 98.06 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.55 -39.27 87.35 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.554 -0.968 . . . . 0.0 109.776 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.95 98.49 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.6 -0.688 . . . . 0.0 109.732 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.02 -41.61 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.559 -0.713 . . . . 0.0 109.443 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.01 -41.93 84.17 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.645 -0.659 . . . . 0.0 110.419 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.66 -46.13 89.61 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.344 -0.847 . . . . 0.0 110.108 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.8 tpp -60.77 -37.08 80.64 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.487 -0.758 . . . . 0.0 109.818 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.29 -37.42 85.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.491 -0.756 . . . . 0.0 110.172 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -42.96 99.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.747 -0.595 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -69.67 -35.83 75.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.617 -0.677 . . . . 0.0 110.0 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -61.57 -41.7 97.77 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.448 -0.783 . . . . 0.0 109.605 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 24' ' ' LEU . 25.5 mm -67.35 -36.1 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.655 -0.653 . . . . 0.0 109.765 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -64.05 -43.86 94.22 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.62 -0.675 . . . . 0.0 109.79 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.7 -40.22 98.48 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 21' ' ' ILE . 32.0 mt -61.9 -45.11 95.14 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.436 -1.037 . . . . 0.0 109.828 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.96 -39.0 87.88 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.58 -0.7 . . . . 0.0 110.2 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -66.67 -35.09 79.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.529 -0.732 . . . . 0.0 110.268 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -32.83 73.9 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.274 -0.891 . . . . 0.0 110.047 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.97 -12.75 58.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.629 -0.669 . . . . 0.0 111.065 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 p -70.35 -32.64 70.42 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.167 -0.958 . . . . 0.0 110.733 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -50.32 69.94 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.369 -0.832 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -37.51 73.74 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.354 -0.841 . . . . 0.0 110.861 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.03 -29.23 49.28 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.416 -0.803 . . . . 0.0 111.09 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -49.21 8.37 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.11 -0.994 . . . . 0.0 110.454 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.23 -24.34 62.18 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.522 -0.736 . . . . 0.0 110.666 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 mm 55.7 73.79 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.608 0.718 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -87.56 153.58 53.12 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.386 -0.821 . . . . 0.0 110.327 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.22 178.79 6.14 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.987 1.519 . . . . 0.0 110.744 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.58 19.49 7.31 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.441 -0.787 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.3 mmm -95.57 -53.57 3.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.166 -0.959 . . . . 0.0 110.071 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.156 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.047 0.451 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -141.01 106.32 5.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.407 -0.808 . . . . 0.0 110.316 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -65.22 -43.03 92.8 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.639 -0.663 . . . . 0.0 110.733 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -56.14 -41.85 76.0 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.578 -0.701 . . . . 0.0 110.495 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.77 -42.12 98.59 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.446 -0.784 . . . . 0.0 110.26 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -39.9 90.69 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.395 -0.815 . . . . 0.0 110.108 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 4' ' ' ALA . 31.4 mt -62.02 -42.46 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -0.779 . . . . 0.0 110.094 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.71 -42.49 99.68 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.44 -0.788 . . . . 0.0 109.884 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -46.82 87.66 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.614 -0.678 . . . . 0.0 109.953 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.05 -40.31 72.8 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -57.01 -40.38 76.54 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.475 -1.015 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -62.16 -51.88 66.09 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.359 -0.838 . . . . 0.0 109.923 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.9 mt -66.3 -41.14 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.609 -0.682 . . . . 0.0 109.825 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -45.47 94.65 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.456 -0.777 . . . . 0.0 110.411 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.24 -39.99 84.51 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.465 -0.772 . . . . 0.0 110.366 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.1 mtt -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.474 -0.766 . . . . 0.0 109.823 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.5 mm? -78.26 -32.03 49.4 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.445 -0.784 . . . . 0.0 110.396 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' A' ' 21' ' ' ILE . 22.6 mttm -53.58 -49.63 67.31 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.708 -0.62 . . . . 0.0 110.49 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -61.09 -38.65 87.04 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.457 -0.777 . . . . 0.0 110.185 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.97 -36.73 85.35 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.526 -0.734 . . . . 0.0 110.274 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 18' ' ' LYS . 22.9 mt -68.95 -32.47 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.472 -0.768 . . . . 0.0 109.707 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -68.21 -44.31 76.07 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.526 -0.734 . . . . 0.0 110.283 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.65 -42.58 99.67 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.11 -43.91 81.26 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.583 -0.951 . . . . 0.0 110.154 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.56 -34.62 77.43 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.56 -0.713 . . . . 0.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.74 -43.5 85.41 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.366 -0.834 . . . . 0.0 109.871 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -69.61 -32.73 71.61 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.575 -0.703 . . . . 0.0 110.047 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.54 -10.54 58.23 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.654 -0.654 . . . . 0.0 110.724 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -84.97 -46.45 11.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.381 -0.824 . . . . 0.0 110.23 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -58.83 -45.21 90.56 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.379 -0.826 . . . . 0.0 110.452 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -28.13 69.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.372 -0.83 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.66 -23.25 39.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.272 -0.892 . . . . 0.0 110.7 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -51.15 65.14 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.365 -0.835 . . . . 0.0 110.741 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 35' ' ' ILE . 7.7 p-10 -107.72 -41.71 4.94 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.393 -0.817 . . . . 0.0 110.551 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 35' ' ' ILE . 0.4 OUTLIER 57.81 13.84 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.665 -0.647 . . . . 0.0 111.773 179.718 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -147.19 129.65 7.74 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 120.758 -1.214 . . . . 0.0 110.791 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.03 -24.81 16.88 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 O-C-N 123.84 1.442 . . . . 0.0 110.831 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.25 21.1 18.04 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.337 -0.852 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.2 ttp -70.72 -45.73 64.36 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.251 -0.906 . . . . 0.0 110.668 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 . . . . . 0 N--CA 1.504 2.238 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.943 -179.916 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 121.072 0.463 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 p -104.49 113.72 27.48 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.481 -0.762 . . . . 0.0 110.505 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -108.89 -62.61 1.45 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.451 -0.781 . . . . 0.0 109.913 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.765 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -61.24 -44.75 96.74 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.491 -0.755 . . . . 0.0 110.106 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -35.46 80.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.454 -0.779 . . . . 0.0 110.132 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 tp -62.61 -35.25 78.96 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.448 -0.782 . . . . 0.0 110.315 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 4' ' ' ALA . 59.9 mt -59.56 -46.59 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.36 -0.837 . . . . 0.0 109.548 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.31 -31.79 69.26 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.605 -0.685 . . . . 0.0 110.267 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.4 -47.88 78.08 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.391 -0.818 . . . . 0.0 110.075 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.49 -36.58 68.85 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -42.31 98.86 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.411 -1.052 . . . . 0.0 110.156 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -39.89 95.43 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.422 -0.799 . . . . 0.0 109.957 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -77.13 -41.69 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.407 -0.808 . . . . 0.0 109.906 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.49 -47.5 72.97 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.551 -0.718 . . . . 0.0 110.564 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -48.41 79.41 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.396 -0.815 . . . . 0.0 109.943 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.2 mmm -61.44 -37.87 85.1 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.456 -0.777 . . . . 0.0 109.798 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -40.12 90.12 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.613 -0.679 . . . . 0.0 110.134 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -43.01 81.65 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.71 -0.619 . . . . 0.0 109.932 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -57.34 -35.28 69.7 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.576 -0.702 . . . . 0.0 110.236 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -73.47 -46.03 50.64 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.518 -0.739 . . . . 0.0 110.042 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 21' ' ' ILE . 25.1 mm -64.75 -37.09 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.496 -0.753 . . . . 0.0 110.138 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -79.02 -38.84 35.56 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.631 -0.668 . . . . 0.0 109.914 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.55 99.55 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.93 -27.91 69.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.607 -0.937 . . . . 0.0 110.094 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.19 -34.4 49.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.478 -0.764 . . . . 0.0 110.202 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -57.42 -52.01 67.09 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.312 -0.868 . . . . 0.0 110.191 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -66.22 -27.98 68.39 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.384 -0.822 . . . . 0.0 110.447 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.85 -29.09 67.34 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.618 -0.676 . . . . 0.0 110.38 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -61.5 -45.3 94.82 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.599 -0.688 . . . . 0.0 110.182 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' A' ' 30' ' ' LYS . 44.1 mtmt -69.98 -36.47 75.22 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.428 -0.795 . . . . 0.0 109.991 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -68.78 -32.49 72.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.374 -0.829 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.68 -48.44 9.46 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.243 -0.911 . . . . 0.0 111.097 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -50.87 4.92 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.108 -0.995 . . . . 0.0 111.02 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t70 56.65 32.17 20.55 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.645 -0.659 . . . . 0.0 110.782 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 35' ' ' ILE . 5.9 tt -158.58 36.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.207 -0.933 . . . . 0.0 110.805 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.435 ' HG3' ' HD2' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -145.66 150.62 44.05 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.017 -1.052 . . . . 0.0 110.368 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HD2' ' HG3' ' A' ' 36' ' ' GLN . 48.9 Cg_endo -74.91 95.83 0.99 Allowed 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.789 1.415 . . . . 0.0 110.425 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.65 20.43 17.12 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.449 -0.782 . . . . 0.0 111.077 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -46.94 71.52 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.094 -1.004 . . . . 0.0 110.524 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.204 179.811 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.08 0.467 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -140.19 132.47 28.26 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.522 -0.736 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -58.06 2.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.495 -0.753 . . . . 0.0 109.877 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.94 -49.92 72.18 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.571 -0.706 . . . . 0.0 110.352 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.63 -38.74 92.26 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.537 -0.727 . . . . 0.0 110.47 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.46 -48.06 83.41 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.489 -0.757 . . . . 0.0 110.212 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -71.08 -39.06 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.386 -0.821 . . . . 0.0 110.071 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -47.67 82.27 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.497 -0.752 . . . . 0.0 110.353 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -64.77 -36.99 86.1 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.414 -0.804 . . . . 0.0 110.308 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.09 -43.79 96.73 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -40.99 93.62 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.581 -0.952 . . . . 0.0 110.072 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -65.39 -40.09 93.03 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.506 -0.746 . . . . 0.0 110.142 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 mm -76.53 -40.15 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.45 -0.782 . . . . 0.0 109.742 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.71 71.55 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.48 -0.762 . . . . 0.0 110.226 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -71.81 -50.1 32.73 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.442 -0.786 . . . . 0.0 109.864 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -40.46 78.52 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.522 -0.736 . . . . 0.0 110.348 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.2 mm? -72.09 -37.88 69.49 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.435 -0.791 . . . . 0.0 110.089 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -50.52 72.0 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.65 -0.656 . . . . 0.0 110.274 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -59.23 -35.39 73.56 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.636 -0.665 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -38.6 88.81 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.26 -0.9 . . . . 0.0 109.925 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.9 mt -68.64 -34.37 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.599 -0.688 . . . . 0.0 110.018 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.18 -43.08 74.95 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.576 -0.703 . . . . 0.0 110.095 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.29 -44.7 96.56 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.83 -38.07 81.01 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.588 -0.948 . . . . 0.0 110.398 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.98 -48.23 77.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.408 -0.807 . . . . 0.0 110.115 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -42.7 93.15 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.407 -0.808 . . . . 0.0 109.777 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -37.43 87.56 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.57 -0.706 . . . . 0.0 110.18 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -43.86 93.61 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.596 -0.69 . . . . 0.0 110.213 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -61.09 -41.85 97.41 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.643 -0.661 . . . . 0.0 110.1 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -65.32 -38.1 89.12 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.53 -0.731 . . . . 0.0 110.163 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -35.79 82.2 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.538 -0.726 . . . . 0.0 110.447 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 35' ' ' ILE . . . -73.86 -34.7 64.6 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.442 -0.786 . . . . 0.0 110.653 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -30.67 30.29 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.405 -0.809 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.4 34.65 1.14 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.296 -0.877 . . . . 0.0 111.242 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 32' ' ' ALA . 13.3 tt -131.5 36.36 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.115 -0.99 . . . . 0.0 110.434 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -130.0 141.26 41.24 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.081 -1.012 . . . . 0.0 110.073 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.3 -38.82 4.35 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 124.076 1.567 . . . . 0.0 111.046 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.1 61.65 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.239 -0.913 . . . . 0.0 110.831 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.9 mtp -100.64 -46.6 5.13 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.37 -0.831 . . . . 0.0 110.644 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 . . . . . 0 N--CA 1.496 1.844 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.699 -179.675 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.041 0.448 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.39 156.18 47.83 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.492 -0.755 . . . . 0.0 110.234 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -92.41 6.76 45.8 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.414 -0.803 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.45 -47.93 82.4 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.197 -0.94 . . . . 0.0 110.032 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.98 -32.76 74.21 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.63 -0.669 . . . . 0.0 110.016 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.499 ' HA ' HD13 ' A' ' 6' ' ' LEU . 2.4 mm? -60.66 -39.33 87.99 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.423 -0.798 . . . . 0.0 109.8 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.9 mt -73.81 -32.1 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.523 -0.736 . . . . 0.0 109.936 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -56.64 -50.89 70.71 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.494 -0.754 . . . . 0.0 110.489 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -87.05 -30.84 20.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.415 -0.803 . . . . 0.0 110.236 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.85 -29.4 67.51 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -56.75 -30.59 63.72 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.145 -1.209 . . . . 0.0 110.672 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -68.54 -47.44 66.89 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.301 -0.874 . . . . 0.0 109.413 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.603 HG22 HD13 ' A' ' 17' ' ' LEU . 2.8 mp -74.92 -33.61 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.592 -0.692 . . . . 0.0 109.896 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.98 62.76 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.557 -0.714 . . . . 0.0 110.711 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.47 -42.89 99.8 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.314 -0.866 . . . . 0.0 110.117 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.7 ttp -63.12 -42.92 99.61 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.489 -0.757 . . . . 0.0 110.091 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.603 HD13 HG22 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.3 -30.35 63.33 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.407 -0.808 . . . . 0.0 110.403 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -60.03 -52.84 63.67 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.598 -0.688 . . . . 0.0 110.121 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.4 m -61.38 -40.15 93.26 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.47 -0.769 . . . . 0.0 110.012 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -44.11 90.67 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.59 -0.694 . . . . 0.0 110.129 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mt -63.38 -30.42 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.568 -0.707 . . . . 0.0 110.327 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -50.03 75.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.411 -0.806 . . . . 0.0 109.717 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.45 -37.53 79.0 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.81 -41.86 97.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.478 -1.013 . . . . 0.0 109.759 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' HA ' ' HB3' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -64.96 -34.92 79.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.557 -0.715 . . . . 0.0 110.484 179.755 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -55.27 -45.04 76.13 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.37 -0.831 . . . . 0.0 109.958 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -84.04 -31.06 25.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.43 -0.794 . . . . 0.0 110.364 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . . . -67.04 -44.3 80.54 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.561 -0.712 . . . . 0.0 110.522 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -62.28 -42.28 99.21 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.574 -0.704 . . . . 0.0 110.065 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -43.07 99.57 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.607 -0.683 . . . . 0.0 109.88 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -70.02 -32.9 71.3 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.542 -0.724 . . . . 0.0 110.107 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.85 -26.29 49.27 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.389 -0.819 . . . . 0.0 110.561 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.44 3.61 15.37 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.395 -0.815 . . . . 0.0 111.509 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -66.45 -26.69 67.32 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.931 -1.106 . . . . 0.0 110.746 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' A' ' 34' ' ' ASP . 28.9 mt 61.08 81.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.646 -0.658 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.33 122.31 61.6 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.492 -0.755 . . . . 0.0 110.208 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -74.27 142.97 31.05 Favored 'Trans proline' 0 C--N 1.315 -1.222 0 O-C-N 123.833 1.438 . . . . 0.0 110.822 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.26 17.95 11.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.609 -0.682 . . . . 0.0 110.89 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -88.64 -29.27 20.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.943 . . . . 0.0 110.583 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 N--CA 1.502 2.17 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.762 -179.827 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 121.099 0.476 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -78.22 152.81 32.42 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.44 -0.788 . . . . 0.0 110.343 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -103.34 -26.93 12.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.556 -0.715 . . . . 0.0 110.532 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -79.5 -41.07 28.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.236 -0.915 . . . . 0.0 110.375 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.27 96.96 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.455 -0.778 . . . . 0.0 110.386 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -55.87 -30.46 61.55 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.58 -0.7 . . . . 0.0 110.938 179.816 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 4' ' ' ALA . 96.2 mt -60.77 -49.19 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.343 -0.848 . . . . 0.0 109.916 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.16 -39.29 89.69 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.503 -0.748 . . . . 0.0 110.191 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.7 -31.07 62.12 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.506 -0.746 . . . . 0.0 110.931 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.53 -39.94 3.54 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -56.25 -41.16 75.32 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.489 -1.006 . . . . 0.0 110.859 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -58.08 -51.12 71.01 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.312 -0.868 . . . . 0.0 110.244 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.23 -39.18 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.465 -0.772 . . . . 0.0 109.731 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.88 73.69 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 0.0 110.263 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -44.16 78.51 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.401 -0.812 . . . . 0.0 109.974 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.0 mtt -60.96 -38.35 85.61 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 110.291 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.88 -35.09 79.23 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.424 -0.798 . . . . 0.0 110.359 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -44.71 69.75 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.44 -0.788 . . . . 0.0 110.234 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -61.9 -39.45 92.02 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.445 -0.785 . . . . 0.0 110.301 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.76 -39.91 91.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.543 -0.723 . . . . 0.0 110.494 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.8 mt -67.58 -33.95 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.461 -0.775 . . . . 0.0 110.189 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -46.44 83.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.543 -0.723 . . . . 0.0 110.263 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.53 -38.44 95.73 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -63.06 -42.49 99.72 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.477 -1.014 . . . . 0.0 110.185 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -41.95 96.74 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.504 -0.748 . . . . 0.0 110.315 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -40.79 88.63 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.413 -0.805 . . . . 0.0 109.99 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -71.89 -30.26 65.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.469 -0.769 . . . . 0.0 110.353 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.44 84.43 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.377 -0.827 . . . . 0.0 109.868 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -74.01 -44.46 54.44 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.633 -0.667 . . . . 0.0 109.947 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -35.8 79.84 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.428 -0.795 . . . . 0.0 110.349 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -18.56 64.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.437 -0.789 . . . . 0.0 110.655 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.42 -8.08 57.92 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.009 -1.057 . . . . 0.0 110.865 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.51 10.1 29.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.186 -0.946 . . . . 0.0 111.702 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.18 25.28 4.55 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.847 -1.158 . . . . 0.0 110.988 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' O ' HG22 ' A' ' 35' ' ' ILE . 38.2 mm -97.59 46.01 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 120.993 -1.067 . . . . 0.0 109.926 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -129.48 98.92 21.76 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.124 -0.985 . . . . 0.0 109.858 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -69.95 -18.27 36.23 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 O-C-N 123.965 1.508 . . . . 0.0 111.417 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.42 -34.11 77.03 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.262 -0.899 . . . . 0.0 110.381 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.3 mtp -80.5 -48.84 12.2 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.451 -0.781 . . . . 0.0 110.133 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.241 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 121.043 0.449 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -129.69 164.21 24.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.431 -0.793 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -45.53 92.06 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.53 -0.731 . . . . 0.0 109.921 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.18 91.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.599 -0.688 . . . . 0.0 110.084 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.61 85.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.546 -0.721 . . . . 0.0 110.22 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.48 -40.0 74.18 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.592 -0.692 . . . . 0.0 110.092 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.5 mt -71.0 -36.63 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.541 -0.724 . . . . 0.0 109.738 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.29 -30.55 70.55 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.506 -0.746 . . . . 0.0 110.292 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -82.58 -42.85 17.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.399 -0.813 . . . . 0.0 110.362 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.07 -46.95 93.52 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -57.17 -33.79 67.8 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.171 -1.193 . . . . 0.0 110.578 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -71.92 -39.91 69.14 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.37 -0.831 . . . . 0.0 109.951 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.8 mt -74.53 -46.77 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.775 . . . . 0.0 109.703 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.41 92.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.575 -0.703 . . . . 0.0 110.213 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.55 -44.29 97.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.429 -0.794 . . . . 0.0 109.779 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.7 mtm -63.77 -38.48 91.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.445 -0.785 . . . . 0.0 109.592 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.55 -35.18 75.41 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.66 -0.65 . . . . 0.0 109.682 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -59.69 -41.39 90.61 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -36.44 82.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.699 -0.626 . . . . 0.0 109.893 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -42.33 99.65 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.481 -0.762 . . . . 0.0 109.631 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -66.9 -33.22 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.635 -0.666 . . . . 0.0 109.893 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -44.85 92.7 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.621 -0.674 . . . . 0.0 109.79 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.66 -39.48 97.96 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.196 -1.561 . . . . 0.0 109.196 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.2 -42.67 86.69 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.522 -0.987 . . . . 0.0 109.711 179.231 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -34.89 69.3 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.511 -0.743 . . . . 0.0 110.129 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -42.19 76.01 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.52 -0.737 . . . . 0.0 110.177 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -36.52 84.56 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.523 -0.735 . . . . 0.0 109.979 179.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.03 -31.49 72.06 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.716 -0.615 . . . . 0.0 109.885 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 t -62.68 -39.55 94.29 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.567 -0.708 . . . . 0.0 109.579 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -45.5 69.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.592 -0.692 . . . . 0.0 109.545 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -35.69 66.86 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.56 -0.712 . . . . 0.0 110.329 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.62 -30.08 67.73 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.409 -0.807 . . . . 0.0 110.318 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -102.54 8.4 39.89 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.464 -0.773 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.08 11.98 23.69 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.131 -0.981 . . . . 0.0 110.675 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 35' ' ' ILE . 13.2 tt -154.2 60.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.303 -0.873 . . . . 0.0 110.079 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -123.23 161.38 45.48 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 121.138 -0.976 . . . . 0.0 110.198 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.81 97.72 0.92 Allowed 'Trans proline' 0 C--N 1.314 -1.266 0 O-C-N 123.88 1.463 . . . . 0.0 110.549 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.22 -41.17 20.63 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.519 -0.738 . . . . 0.0 110.216 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ttp -95.06 -49.27 5.61 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.444 -0.785 . . . . 0.0 110.185 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.133 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 120.951 0.405 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -133.05 158.01 43.81 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.507 -0.745 . . . . 0.0 110.222 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -45.81 92.78 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.459 -0.776 . . . . 0.0 110.139 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.464 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -60.55 -41.88 95.42 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.438 -0.789 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.31 93.16 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.579 -0.7 . . . . 0.0 109.77 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.25 -39.17 85.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.538 -0.726 . . . . 0.0 110.226 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 4' ' ' ALA . 29.9 mt -68.93 -38.1 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.483 -0.761 . . . . 0.0 110.069 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -60.49 -46.5 89.87 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.457 -0.777 . . . . 0.0 110.209 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.12 -45.47 66.82 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.391 -0.818 . . . . 0.0 110.033 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.54 -40.15 98.32 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -61.28 -41.14 96.44 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.483 -1.01 . . . . 0.0 109.687 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -41.47 75.47 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.515 -0.741 . . . . 0.0 109.388 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.15 -40.92 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.626 -0.671 . . . . 0.0 109.247 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.78 76.77 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.551 -0.718 . . . . 0.0 110.186 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -47.18 82.38 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.39 -0.819 . . . . 0.0 109.526 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.5 tpp -72.88 -29.47 63.19 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.421 -0.799 . . . . 0.0 109.99 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.2 tp -57.75 -41.15 81.35 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.599 -0.688 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -61.48 -43.91 98.02 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.586 -0.696 . . . . 0.0 109.322 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 m -63.61 -38.16 90.08 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.685 -0.634 . . . . 0.0 109.542 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -63.13 -41.26 99.28 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.719 -0.613 . . . . 0.0 109.868 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.5 -36.35 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.549 -0.72 . . . . 0.0 109.879 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -69.91 -44.56 69.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.556 -0.715 . . . . 0.0 109.926 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.44 -43.48 98.69 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -41.1 92.85 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.605 -0.938 . . . . 0.0 110.013 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.57 -42.43 96.62 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.524 -0.735 . . . . 0.0 110.109 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.17 -39.73 94.62 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.446 -0.784 . . . . 0.0 109.846 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -40.28 95.48 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.518 -0.739 . . . . 0.0 110.135 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.1 99.43 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.722 -0.611 . . . . 0.0 110.233 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -64.73 -39.25 93.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.61 -0.681 . . . . 0.0 109.85 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -62.83 -43.04 99.85 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.653 -0.654 . . . . 0.0 109.987 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -65.04 -34.44 78.43 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.484 -0.76 . . . . 0.0 110.076 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.41 -40.47 91.1 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.395 -0.815 . . . . 0.0 109.172 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -31.96 70.77 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.813 -0.555 . . . . 0.0 109.971 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.86 -28.15 68.64 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.46 -0.775 . . . . 0.0 110.453 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.45 ' O ' HG22 ' A' ' 35' ' ' ILE . 31.2 mm -98.17 21.92 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.334 -0.854 . . . . 0.0 110.223 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -118.73 85.88 28.62 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.09 -1.006 . . . . 0.0 110.137 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.67 151.53 58.12 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.777 1.409 . . . . 0.0 110.547 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.67 -45.79 5.65 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.549 -0.719 . . . . 0.0 110.289 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.42 -25.95 46.2 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.483 -0.761 . . . . 0.0 110.655 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.232 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.107 0.48 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -134.16 155.57 49.88 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.34 -0.85 . . . . 0.0 110.448 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -56.75 -49.52 74.99 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.623 -0.673 . . . . 0.0 110.036 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -62.9 -42.92 99.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.555 -0.715 . . . . 0.0 110.059 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -41.54 87.85 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.538 -0.726 . . . . 0.0 110.319 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' ' 6' ' ' LEU . 1.7 mm? -57.77 -32.35 67.42 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.522 -0.736 . . . . 0.0 110.128 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 4' ' ' ALA . 25.1 mt -82.75 -35.52 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 109.809 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -58.82 -51.06 71.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.524 -0.735 . . . . 0.0 111.117 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.99 -26.45 60.17 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.422 -0.799 . . . . 0.0 111.068 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.7 -47.77 2.88 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -55.57 -38.67 69.65 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.495 -1.003 . . . . 0.0 111.135 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -45.4 93.49 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.377 -0.827 . . . . 0.0 110.489 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.74 -35.94 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.337 -0.852 . . . . 0.0 109.908 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.89 74.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.404 -0.81 . . . . 0.0 110.218 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.09 -44.99 95.46 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 110.262 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.5 mtm -66.84 -41.97 86.55 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.546 -0.721 . . . . 0.0 110.408 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.06 -26.97 61.48 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.458 -0.777 . . . . 0.0 110.615 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -58.58 -51.73 68.64 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.616 -0.677 . . . . 0.0 110.349 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -62.64 -33.47 75.1 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 110.439 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -47.56 72.09 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.366 -0.834 . . . . 0.0 110.343 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -65.35 -33.83 66.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.459 -0.776 . . . . 0.0 110.345 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -45.12 91.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.499 -0.751 . . . . 0.0 109.863 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.65 -38.54 93.31 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.3 -42.2 90.81 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.588 -0.948 . . . . 0.0 110.235 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.47 -39.22 88.67 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.54 -0.725 . . . . 0.0 109.986 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -32.54 72.64 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.438 -0.789 . . . . 0.0 109.98 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -84.04 -37.55 21.99 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.378 -0.826 . . . . 0.0 109.998 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.85 -32.62 73.26 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.708 -0.62 . . . . 0.0 110.735 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.5 p -59.74 -34.16 72.59 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.545 -0.722 . . . . 0.0 110.186 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.0 -35.52 76.77 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.482 -0.761 . . . . 0.0 109.96 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.61 -28.63 69.76 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.126 -0.984 . . . . 0.0 110.179 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.61 -44.06 8.38 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.469 -0.769 . . . . 0.0 111.603 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.07 15.64 25.03 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.104 -0.998 . . . . 0.0 112.036 -178.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.03 46.33 0.6 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.986 -1.072 . . . . 0.0 110.356 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -21.36 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.294 -0.879 . . . . 0.0 110.792 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -113.47 90.3 17.15 Favored Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.298 -0.876 . . . . 0.0 109.471 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.83 106.33 1.83 Allowed 'Trans proline' 0 C--N 1.314 -1.255 0 O-C-N 123.715 1.376 . . . . 0.0 110.7 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.85 -10.01 59.66 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.559 -0.713 . . . . 0.0 110.952 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.0 mtm -89.15 -54.09 4.27 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.212 -0.93 . . . . 0.0 110.186 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.152 0.501 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.64 113.84 15.91 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.451 -0.781 . . . . 0.0 109.953 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -107.91 -52.48 2.76 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.56 -0.712 . . . . 0.0 110.395 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.55 86.33 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.586 -0.696 . . . . 0.0 110.164 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -35.31 78.35 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.627 -0.671 . . . . 0.0 110.312 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.65 -43.35 89.79 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.583 -0.698 . . . . 0.0 110.289 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt -73.23 -34.12 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.29 -0.881 . . . . 0.0 109.882 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.32 -47.93 80.29 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.536 -0.727 . . . . 0.0 110.538 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.93 -40.5 75.48 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.42 -0.8 . . . . 0.0 110.295 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.14 -42.55 97.16 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -62.8 -44.69 95.51 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.596 -0.943 . . . . 0.0 109.779 179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -43.47 97.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.57 -0.706 . . . . 0.0 109.451 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -66.26 -40.96 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.662 -0.649 . . . . 0.0 109.402 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.44 -42.42 70.55 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.634 -0.667 . . . . 0.0 109.928 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.64 -43.61 84.18 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.461 -0.775 . . . . 0.0 109.548 178.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 tpt -58.98 -39.13 80.84 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.688 -0.633 . . . . 0.0 110.237 179.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -42.8 96.01 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.586 -0.696 . . . . 0.0 110.131 179.65 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -60.24 -44.18 95.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.761 -0.587 . . . . 0.0 110.132 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t -65.94 -36.01 82.19 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.48 -0.763 . . . . 0.0 110.402 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -62.33 -47.37 84.54 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.361 -0.837 . . . . 0.0 110.491 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.1 mp -62.45 -35.76 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.478 -0.764 . . . . 0.0 110.169 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -67.79 -42.82 81.04 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.598 -0.689 . . . . 0.0 109.884 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.29 96.92 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 21' ' ' ILE . 25.3 mt -61.58 -40.84 96.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.605 -0.938 . . . . 0.0 109.922 179.264 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.76 -40.17 94.23 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.671 -0.643 . . . . 0.0 109.852 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -30.06 65.07 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.482 -0.761 . . . . 0.0 110.206 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -61.49 -49.92 74.82 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.323 -0.86 . . . . 0.0 109.76 179.378 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.85 94.67 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.657 -0.652 . . . . 0.0 109.793 179.107 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.0 t -67.77 -30.71 70.23 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.727 -0.608 . . . . 0.0 110.244 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -46.76 82.53 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.492 -0.755 . . . . 0.0 110.194 179.731 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -38.54 88.21 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.548 -0.72 . . . . 0.0 109.784 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.0 -33.74 70.68 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.615 -0.678 . . . . 0.0 109.992 179.228 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HA ' ' HB2' ' A' ' 36' ' ' GLN . 35.3 mt-30 -73.99 -28.16 61.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.407 -0.808 . . . . 0.0 110.6 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -44.33 79.08 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.538 -0.726 . . . . 0.0 110.889 -179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.2 tt -110.6 35.05 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.317 -0.864 . . . . 0.0 110.579 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.496 ' HB2' ' HA ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -92.69 124.2 59.52 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.067 -1.021 . . . . 0.0 110.39 179.808 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.63 135.43 19.81 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.846 1.445 . . . . 0.0 110.489 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.61 -45.95 7.49 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.503 -0.748 . . . . 0.0 110.291 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.79 -17.91 19.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.605 -0.685 . . . . 0.0 110.746 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 117.789 -1.101 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.162 0.506 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -137.38 164.69 28.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -0.788 . . . . 0.0 110.094 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -46.62 90.02 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.514 -0.741 . . . . 0.0 110.339 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.02 -36.69 59.02 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.448 -0.783 . . . . 0.0 110.386 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.35 -40.43 86.39 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.56 -0.713 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.8 -46.28 87.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.469 -0.769 . . . . 0.0 110.661 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -62.02 -39.57 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.481 -0.762 . . . . 0.0 110.537 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.73 -33.87 52.8 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.227 -0.921 . . . . 0.0 110.425 179.634 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.34 -45.51 72.72 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.443 -0.785 . . . . 0.0 110.631 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.42 -47.68 41.56 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 1.1 tt0 -60.74 -31.06 70.4 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.41 -1.053 . . . . 0.0 110.43 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.26 72.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.178 -0.951 . . . . 0.0 110.636 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.2 mt -92.28 -58.14 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.349 -0.845 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.83 -51.06 62.35 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.452 -0.78 . . . . 0.0 111.686 -178.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 11' ' ' GLN . 2.4 tt0 -63.42 -49.7 72.69 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.23 -0.919 . . . . 0.0 110.645 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -41.46 98.89 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.328 -0.858 . . . . 0.0 110.8 -179.858 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.0 mm? -63.01 -32.2 73.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.221 -0.924 . . . . 0.0 110.504 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -49.74 76.46 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.519 -0.738 . . . . 0.0 109.832 179.563 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -73.95 -33.32 63.86 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.94 179.166 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -60.91 -37.2 81.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.554 -0.716 . . . . 0.0 110.28 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -36.37 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.496 -0.753 . . . . 0.0 109.977 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.08 -41.69 67.05 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.519 -0.738 . . . . 0.0 110.034 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.99 -44.54 88.43 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.26 -40.88 82.99 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.613 -0.933 . . . . 0.0 110.199 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.94 -34.9 79.17 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.494 -0.754 . . . . 0.0 110.291 179.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -36.73 83.62 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.367 -0.833 . . . . 0.0 110.272 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -85.16 -28.1 25.74 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.352 -0.842 . . . . 0.0 110.505 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.86 8.8 16.17 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.528 -0.733 . . . . 0.0 111.426 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.4 p -88.8 -59.36 2.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.932 -1.105 . . . . 0.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -66.88 -42.29 85.81 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.39 -0.819 . . . . 0.0 110.575 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -34.73 74.03 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.467 -0.77 . . . . 0.0 110.228 179.654 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.32 58.07 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.385 -0.822 . . . . 0.0 110.392 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -19.12 62.54 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.377 -0.827 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -74.3 0.07 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.352 -0.842 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 36' ' ' GLN . 8.2 tt -175.62 -43.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.542 -0.724 . . . . 0.0 110.546 179.592 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' N ' HG23 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -150.6 149.8 26.93 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.487 -0.758 . . . . 0.0 110.658 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.4 172.15 16.24 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 O-C-N 123.82 1.431 . . . . 0.0 110.277 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.41 20.44 13.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.359 -0.838 . . . . 0.0 111.174 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.37 19.02 18.58 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.047 -1.033 . . . . 0.0 110.839 179.835 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.063 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.114 0.483 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 m -134.82 107.02 7.16 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.417 -0.802 . . . . 0.0 110.273 -179.788 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.69 -53.96 2.54 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.517 -0.739 . . . . 0.0 110.394 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.08 -46.22 91.54 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.459 -0.776 . . . . 0.0 110.449 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.17 -33.77 71.32 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.664 -0.648 . . . . 0.0 110.689 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.82 -46.1 81.88 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.456 -0.778 . . . . 0.0 110.246 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mt -73.76 -36.29 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.438 -0.789 . . . . 0.0 109.741 179.461 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.08 -38.54 86.61 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.467 -0.77 . . . . 0.0 110.607 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.35 -36.9 79.07 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.439 -0.788 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.93 20.87 45.98 Favored Glycine 0 N--CA 1.494 2.539 0 C-N-CA 120.107 -1.044 . . . . 0.0 110.563 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -55.88 3.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.033 -1.275 . . . . 0.0 109.843 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -21.09 30.99 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.626 -0.672 . . . . 0.0 110.437 179.45 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.94 -31.67 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.277 -0.889 . . . . 0.0 110.231 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.11 -51.68 67.04 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.401 -0.812 . . . . 0.0 110.3 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -43.9 94.16 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.615 -0.678 . . . . 0.0 109.936 179.55 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -35.32 78.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.396 -0.815 . . . . 0.0 109.737 179.005 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.5 tp -68.52 -32.5 72.5 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.506 -0.746 . . . . 0.0 109.92 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -47.92 84.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.544 -0.723 . . . . 0.0 109.862 179.212 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 p -74.75 -34.81 62.58 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.546 -0.721 . . . . 0.0 109.631 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -65.05 -43.4 92.44 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.508 -0.745 . . . . 0.0 109.97 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.7 mm -63.02 -33.96 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.509 -0.745 . . . . 0.0 109.915 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -64.12 -42.79 96.72 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.511 -0.743 . . . . 0.0 109.62 179.18 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.91 -37.79 93.62 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.191 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -30.96 61.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.463 -1.022 . . . . 0.0 110.089 179.277 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -63.85 -18.04 63.76 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.476 -0.765 . . . . 0.0 111.209 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.87 -49.48 59.08 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.194 -0.941 . . . . 0.0 110.166 179.721 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -76.58 -37.21 56.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.186 -0.946 . . . . 0.0 110.17 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . . . -68.16 -24.47 64.98 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.611 -0.681 . . . . 0.0 111.059 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 p -60.64 -35.31 75.88 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.356 -0.84 . . . . 0.0 110.434 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -39.69 94.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.283 -0.886 . . . . 0.0 109.851 179.232 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -70.09 -33.19 71.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.498 -0.751 . . . . 0.0 109.938 179.219 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 36' ' ' GLN . . . -77.72 -29.93 51.5 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.401 -0.812 . . . . 0.0 110.602 179.629 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -59.19 -29.68 67.64 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.261 -0.899 . . . . 0.0 110.696 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.72 -59.98 4.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.459 -0.776 . . . . 0.0 111.025 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 35' ' ' ILE . 9.7 tp -149.86 28.41 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.237 -0.915 . . . . 0.0 111.279 -179.35 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.505 ' HB3' ' HA ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -125.75 86.03 58.16 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.05 -1.031 . . . . 0.0 109.926 179.73 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.32 101.06 1.2 Allowed 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.878 1.462 . . . . 0.0 110.696 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -104.63 -44.0 4.99 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.444 -0.785 . . . . 0.0 110.178 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.9 mtt -99.74 -45.68 5.67 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.465 -0.772 . . . . 0.0 110.009 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.234 179.745 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 121.084 0.468 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.45 142.22 31.12 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.489 -0.757 . . . . 0.0 110.274 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -11.18 59.91 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 111.173 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.748 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -52.5 -42.83 64.63 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.297 -0.877 . . . . 0.0 110.674 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.61 93.29 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.47 -0.769 . . . . 0.0 110.036 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.1 tt -66.72 -32.46 73.78 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.486 -0.759 . . . . 0.0 110.402 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 4' ' ' ALA . 53.4 mt -68.76 -39.54 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.181 -0.949 . . . . 0.0 109.719 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -72.18 -51.67 20.12 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.448 -0.783 . . . . 0.0 109.538 179.325 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -68.11 -27.9 66.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.471 -0.768 . . . . 0.0 110.133 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.553 ' HA2' HD12 ' A' ' 13' ' ' ILE . . . -58.0 -29.41 62.18 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -57.07 -33.99 67.82 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.159 -1.201 . . . . 0.0 110.264 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -81.14 -41.96 21.64 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.322 -0.861 . . . . 0.0 109.501 179.147 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.553 HD12 ' HA2' ' A' ' 10' ' ' GLY . 16.5 mt -64.07 -39.02 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.645 -0.66 . . . . 0.0 109.689 179.361 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.91 94.78 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.575 -0.703 . . . . 0.0 110.301 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.61 -41.8 95.95 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.43 -0.794 . . . . 0.0 109.992 179.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -46.46 77.8 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.49 -0.756 . . . . 0.0 109.569 179.395 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.7 -37.78 88.63 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.543 -0.723 . . . . 0.0 109.794 179.131 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -58.56 -41.32 85.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.719 -0.613 . . . . 0.0 109.836 179.231 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t -62.52 -41.86 99.14 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.537 -0.727 . . . . 0.0 109.774 179.221 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -40.33 89.9 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.586 -0.696 . . . . 0.0 109.758 179.155 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.37 -36.35 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.548 -0.72 . . . . 0.0 109.635 179.192 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.88 85.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.771 -0.581 . . . . 0.0 109.961 179.24 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.32 -43.14 99.75 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.66 -28.37 68.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.602 -0.94 . . . . 0.0 109.887 178.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.9 OUTLIER -56.32 -38.65 71.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.593 -0.692 . . . . 0.0 110.302 179.555 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -44.42 96.16 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.409 -0.807 . . . . 0.0 109.749 179.244 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -66.44 -33.25 75.28 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.464 -0.772 . . . . 0.0 110.178 179.307 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.07 -29.76 39.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.557 -0.714 . . . . 0.0 110.434 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.489 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -68.57 -12.09 60.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.458 -0.776 . . . . 0.0 110.995 179.849 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -51.54 -45.26 62.94 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.236 -0.915 . . . . 0.0 110.408 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -34.53 24.62 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.57 -0.706 . . . . 0.0 110.112 179.336 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 29' ' ' SER . . . -70.41 -18.91 63.03 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.575 -0.703 . . . . 0.0 111.348 -179.722 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -62.17 -51.72 66.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.106 -0.996 . . . . 0.0 110.896 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.06 40.22 0.54 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.422 -0.798 . . . . 0.0 110.707 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mt 52.57 69.03 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.569 -0.707 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.42 130.06 89.58 Favored Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.426 -0.796 . . . . 0.0 110.419 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -75.69 84.02 1.83 Allowed 'Trans proline' 0 C--N 1.315 -1.187 0 O-C-N 123.979 1.515 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.3 -44.81 11.81 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.418 -0.801 . . . . 0.0 110.508 -179.774 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.1 mmt -100.43 -52.81 3.26 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.386 -0.821 . . . . 0.0 109.911 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 117.892 -1.051 . . . . 0.0 110.143 179.715 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.031 0.443 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -146.52 148.4 32.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.414 -0.804 . . . . 0.0 110.245 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -84.57 -4.18 58.84 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.45 -0.781 . . . . 0.0 110.925 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.13 76.32 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.242 -0.911 . . . . 0.0 110.068 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.41 77.97 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.53 -0.731 . . . . 0.0 110.045 179.261 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.449 ' HA ' HD13 ' A' ' 6' ' ' LEU . 2.7 mm? -60.15 -39.38 86.17 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.356 -0.84 . . . . 0.0 110.052 179.404 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 mt -75.0 -35.16 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.384 -0.822 . . . . 0.0 109.78 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.32 -38.91 91.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.454 -0.779 . . . . 0.0 110.192 179.555 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.4 -31.59 62.39 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.343 -0.848 . . . . 0.0 110.46 179.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.34 -33.14 52.58 Favored Glycine 0 N--CA 1.497 2.732 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -57.24 -47.41 81.45 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.542 -0.975 . . . . 0.0 110.088 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -68.68 -42.98 77.08 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.503 -0.748 . . . . 0.0 110.128 179.484 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.3 mt -63.03 -44.95 99.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.413 -0.804 . . . . 0.0 109.677 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.21 81.26 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.541 -0.724 . . . . 0.0 110.175 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.45 -46.52 86.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.386 -0.821 . . . . 0.0 109.814 179.462 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 tpt -68.82 -36.07 77.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.558 -0.714 . . . . 0.0 109.606 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.06 -19.39 61.84 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.633 -0.667 . . . . 0.0 110.549 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -56.24 -48.22 76.94 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.576 -0.703 . . . . 0.0 110.181 179.746 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -64.41 -39.44 93.85 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.57 -0.706 . . . . 0.0 110.099 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -60.51 -39.73 88.85 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.465 -0.772 . . . . 0.0 109.984 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 mt -68.51 -35.18 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.448 -0.783 . . . . 0.0 109.77 179.281 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 2.1 tp60 -65.66 -31.45 72.47 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.765 -0.584 . . . . 0.0 110.583 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.21 -48.57 67.86 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.67 -30.09 61.47 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.465 -1.02 . . . . 0.0 110.022 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 22' ' ' GLN . 16.3 mt -67.16 -27.0 66.93 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.495 -0.753 . . . . 0.0 110.611 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -37.97 62.82 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.39 -0.819 . . . . 0.0 110.828 -179.846 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -84.7 -35.39 22.57 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.319 -0.863 . . . . 0.0 110.739 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.36 -32.49 60.86 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.541 -0.724 . . . . 0.0 111.121 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.5 p -63.64 -44.81 92.76 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.371 -0.83 . . . . 0.0 110.595 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -68.78 -28.77 67.07 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.39 -0.819 . . . . 0.0 110.806 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -42.74 99.4 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.117 -0.989 . . . . 0.0 110.35 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.586 ' HA ' HD11 ' A' ' 35' ' ' ILE . . . -93.82 -19.53 20.93 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.413 -0.805 . . . . 0.0 111.537 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -96.9 -34.02 11.4 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.017 -1.052 . . . . 0.0 111.425 -179.111 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -100.87 54.44 0.85 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.217 -0.927 . . . . 0.0 110.744 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.586 HD11 ' HA ' ' A' ' 32' ' ' ALA . 48.4 mt -92.87 18.42 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.248 -0.907 . . . . 0.0 110.28 179.259 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -146.16 67.19 11.88 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 121.096 -1.002 . . . . 0.0 110.552 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.42 135.87 23.01 Favored 'Trans proline' 0 C--N 1.314 -1.252 0 O-C-N 123.714 1.376 . . . . 0.0 110.603 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.9 20.68 17.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.597 -0.689 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmm -82.64 -37.62 24.65 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.205 -0.935 . . . . 0.0 110.382 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.135 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.019 0.438 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -122.64 114.94 21.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.561 -0.712 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -73.6 -22.04 60.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.502 -0.749 . . . . 0.0 110.933 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.09 -50.5 69.02 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.367 -0.833 . . . . 0.0 110.435 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.77 -36.84 67.74 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.396 -0.815 . . . . 0.0 110.186 179.535 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tt -56.05 -36.19 67.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.691 -0.631 . . . . 0.0 110.546 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.1 mm -82.82 -44.91 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.292 -0.88 . . . . 0.0 110.03 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -58.35 -54.6 45.21 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.551 -0.718 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.89 -34.08 51.68 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.449 -0.782 . . . . 0.0 110.268 179.527 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.05 -29.8 71.89 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -55.22 -41.92 72.69 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.213 -1.169 . . . . 0.0 110.647 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.3 -39.21 48.74 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.431 -0.793 . . . . 0.0 110.322 179.653 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -70.09 -35.26 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.426 -0.796 . . . . 0.0 110.197 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.6 82.53 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.528 -0.732 . . . . 0.0 110.422 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -41.37 96.72 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.561 -0.712 . . . . 0.0 109.657 179.326 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 ttm -72.67 -36.94 68.04 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.474 -0.766 . . . . 0.0 109.989 179.105 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -29.72 70.6 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.401 -0.812 . . . . 0.0 110.458 179.658 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -44.62 87.7 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.607 -0.683 . . . . 0.0 109.327 179.286 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -73.07 -34.27 66.14 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.655 -0.653 . . . . 0.0 109.319 178.594 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -61.51 -39.39 90.83 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.668 -0.645 . . . . 0.0 109.706 179.081 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.99 -34.88 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.528 -0.733 . . . . 0.0 109.922 179.298 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -62.39 -49.78 74.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.589 -0.694 . . . . 0.0 109.776 179.514 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.42 99.87 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.09 -44.79 87.8 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.631 -0.923 . . . . 0.0 110.084 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.95 -40.49 89.19 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 0.0 109.935 179.339 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -42.8 97.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.655 -0.653 . . . . 0.0 109.665 179.246 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -63.61 -38.01 89.48 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.532 -0.73 . . . . 0.0 110.211 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.07 81.83 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.805 -0.56 . . . . 0.0 110.093 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 m -75.57 -34.3 60.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.574 -0.704 . . . . 0.0 109.962 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -54.29 -56.54 17.46 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.596 -0.69 . . . . 0.0 110.363 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.94 -32.15 73.72 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.398 -0.814 . . . . 0.0 110.616 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.91 -33.89 76.87 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.317 -0.864 . . . . 0.0 110.442 179.512 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -20.47 61.76 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.403 -0.811 . . . . 0.0 110.472 179.711 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -91.36 -78.48 0.39 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.304 -0.872 . . . . 0.0 110.157 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 35' ' ' ILE . 41.2 mm 49.37 42.28 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.452 -0.78 . . . . 0.0 110.48 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -146.96 163.25 29.66 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.292 -0.88 . . . . 0.0 110.458 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.07 98.98 1.05 Allowed 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.693 1.365 . . . . 0.0 110.142 179.671 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.01 -14.14 60.97 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.424 -0.797 . . . . 0.0 111.193 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -45.88 18.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.1 -1.0 . . . . 0.0 110.169 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.072 0.463 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.96 142.98 34.56 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.413 -0.804 . . . . 0.0 110.243 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.73 3.28 44.89 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.547 -0.72 . . . . 0.0 111.074 179.772 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -64.67 -33.73 76.64 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.115 -0.991 . . . . 0.0 110.546 179.809 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.04 -36.83 68.45 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.514 -0.742 . . . . 0.0 110.495 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -39.01 92.64 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.363 -0.835 . . . . 0.0 110.005 179.398 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 4' ' ' ALA . 4.7 mt -69.01 -34.57 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.54 -0.725 . . . . 0.0 109.87 179.237 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -61.35 -39.03 89.08 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.471 -0.768 . . . . 0.0 110.024 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.51 -19.22 46.31 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.26 -0.9 . . . . 0.0 110.569 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.56 -15.61 73.28 Favored Glycine 0 N--CA 1.493 2.492 0 O-C-N 121.264 -0.898 . . . . 0.0 111.209 -179.694 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 10.7 pt20 -56.28 -38.79 71.67 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.857 -1.378 . . . . 0.0 111.025 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 2.6 ttp-105 -84.86 -35.64 22.1 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.137 -0.977 . . . . 0.0 109.931 179.317 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.11 -36.13 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.467 -0.77 . . . . 0.0 110.275 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.93 83.54 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.438 -0.789 . . . . 0.0 110.544 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -43.28 90.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.457 -0.777 . . . . 0.0 110.143 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.7 ttp -68.0 -35.88 79.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.483 -0.761 . . . . 0.0 110.326 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 tp -75.72 -25.22 56.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.278 -0.888 . . . . 0.0 110.426 179.586 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -59.88 -49.64 76.89 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.507 -0.745 . . . . 0.0 110.261 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.2 p -64.67 -35.06 79.8 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.484 -0.76 . . . . 0.0 110.217 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -63.85 -47.92 78.82 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.508 -0.745 . . . . 0.0 110.155 179.586 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.28 -33.25 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.416 -0.803 . . . . 0.0 110.061 179.639 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -62.0 -48.95 78.01 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.493 -0.754 . . . . 0.0 109.755 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.25 93.16 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.149 -1.581 . . . . 0.0 109.149 178.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.41 -40.63 97.73 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.62 -0.93 . . . . 0.0 109.926 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -41.06 91.38 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.56 -0.713 . . . . 0.0 110.139 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.4 -42.06 98.78 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.488 -0.757 . . . . 0.0 110.264 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -66.82 -36.03 81.43 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.442 -0.786 . . . . 0.0 110.082 179.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.33 99.21 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.678 -0.639 . . . . 0.0 109.94 179.253 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 t -63.2 -39.49 94.77 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.684 -0.635 . . . . 0.0 109.826 179.218 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -38.8 62.58 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.522 -0.736 . . . . 0.0 109.942 179.47 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -38.05 83.86 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.509 -0.744 . . . . 0.0 110.218 179.58 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.84 -33.97 66.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.431 -0.793 . . . . 0.0 110.247 179.54 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -104.09 31.73 4.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.454 -0.778 . . . . 0.0 110.54 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.63 ' HB3' HD12 ' A' ' 35' ' ' ILE . 3.9 t70 -84.17 -39.39 19.46 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.295 -0.878 . . . . 0.0 111.166 -179.273 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 34' ' ' ASP . 3.2 mp -121.45 -74.59 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.226 -0.921 . . . . 0.0 110.511 -179.652 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -147.02 132.25 9.07 Favored Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 121.304 -0.872 . . . . 0.0 110.436 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.72 -166.53 0.4 Allowed 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 123.947 1.498 . . . . 0.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.55 -38.75 12.31 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.31 -0.869 . . . . 0.0 110.929 -179.745 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.0 mtm -73.73 -62.75 1.39 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.385 -0.822 . . . . 0.0 110.429 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.422 -0.799 . . . . 0.0 110.053 -179.955 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.086 0.47 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 p -133.13 113.88 13.24 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.42 -0.8 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -108.04 -51.16 2.94 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.471 -0.768 . . . . 0.0 110.36 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.69 -45.42 52.54 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.421 -0.799 . . . . 0.0 110.518 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.8 -25.62 68.33 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.452 -0.78 . . . . 0.0 110.753 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -32.23 69.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.516 -0.74 . . . . 0.0 110.677 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.6 mt -77.61 -37.27 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -0.891 . . . . 0.0 110.077 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -83.01 -63.09 1.43 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.492 -0.755 . . . . 0.0 110.395 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.67 -36.49 84.45 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.351 -0.843 . . . . 0.0 110.395 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.7 -32.72 74.88 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.632 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.64 -40.66 88.38 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.324 -1.103 . . . . 0.0 109.871 179.334 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -79.94 -41.52 25.86 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.556 -0.715 . . . . 0.0 110.005 179.504 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.13 -38.09 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.494 -0.754 . . . . 0.0 110.224 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.2 -38.21 68.1 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.503 -0.748 . . . . 0.0 110.49 179.515 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.47 -41.26 66.25 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.443 -0.786 . . . . 0.0 110.042 179.353 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -45.64 78.3 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.343 -0.848 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -24.39 64.73 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.475 -0.766 . . . . 0.0 110.285 179.651 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -44.08 84.4 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.671 -0.643 . . . . 0.0 110.163 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -63.43 -39.3 94.11 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.559 -0.713 . . . . 0.0 110.033 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -40.48 94.87 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.453 -0.78 . . . . 0.0 109.946 179.527 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 mt -72.87 -32.44 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.478 -0.764 . . . . 0.0 110.267 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -60.68 -47.27 86.99 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.529 -0.732 . . . . 0.0 109.972 179.784 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.65 -42.99 98.55 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.044 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.09 -40.15 94.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.67 -0.9 . . . . 0.0 109.902 179.199 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.73 -39.41 93.59 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.563 -0.71 . . . . 0.0 110.132 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -40.72 96.77 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.507 -0.746 . . . . 0.0 110.158 179.543 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -60.49 -43.66 96.75 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.531 -0.731 . . . . 0.0 109.798 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.35 -42.02 72.41 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-O 121.3 0.571 . . . . 0.0 109.877 179.2 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 m -64.57 -42.94 95.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.688 -0.633 . . . . 0.0 109.823 179.331 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -59.04 -39.61 82.54 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.614 -0.679 . . . . 0.0 110.017 179.368 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -53.24 -35.89 60.47 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.46 -0.775 . . . . 0.0 110.253 179.387 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.08 -23.94 19.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.469 -0.769 . . . . 0.0 110.705 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.04 31.01 5.66 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.236 -0.915 . . . . 0.0 111.181 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -155.61 51.73 0.57 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.09 -1.006 . . . . 0.0 110.418 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 mt -115.4 50.83 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.276 -0.89 . . . . 0.0 109.616 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -145.34 68.4 13.54 Favored Pre-proline 0 N--CA 1.498 1.949 0 O-C-N 121.311 -0.868 . . . . 0.0 110.484 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -75.02 88.92 1.2 Allowed 'Trans proline' 0 C--N 1.315 -1.193 0 O-C-N 123.825 1.434 . . . . 0.0 110.485 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.02 -45.5 9.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.382 -0.824 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.4 mmt -100.09 -51.53 3.66 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.487 -0.758 . . . . 0.0 109.861 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.163 179.721 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 121.106 0.479 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.448 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -82.45 131.31 35.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.544 -0.722 . . . . 0.0 110.016 179.848 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -55.8 -45.77 78.17 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.637 -0.664 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.39 76.17 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.5 -0.75 . . . . 0.0 110.247 179.582 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 2' ' ' SER . . . -66.75 -25.15 66.36 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.458 -0.777 . . . . 0.0 111.024 179.869 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -46.39 89.69 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.18 -0.95 . . . . 0.0 110.233 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.35 -45.67 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.378 -0.826 . . . . 0.0 109.66 179.471 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -45.9 83.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.426 -0.796 . . . . 0.0 109.812 179.378 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.9 -41.17 91.06 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.553 -0.717 . . . . 0.0 109.972 179.286 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.14 -41.46 94.94 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.607 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -57.38 -40.09 77.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.523 -0.987 . . . . 0.0 110.224 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -46.14 73.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.526 -0.733 . . . . 0.0 110.132 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.6 mt -71.66 -36.54 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.37 -0.831 . . . . 0.0 110.309 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.58 -48.36 74.94 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -0.796 . . . . 0.0 110.603 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.7 -43.38 80.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.43 -0.794 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 43.9 mmm -61.38 -36.27 79.8 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.53 -0.731 . . . . 0.0 110.158 179.375 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.28 -33.26 65.13 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.524 -0.735 . . . . 0.0 110.499 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -43.82 98.3 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.571 -0.706 . . . . 0.0 110.43 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -72.26 -35.16 68.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.332 -0.855 . . . . 0.0 110.101 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -62.25 -47.13 85.72 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.494 -0.754 . . . . 0.0 110.114 179.415 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.98 -33.75 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.434 -0.791 . . . . 0.0 110.108 179.44 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -40.81 87.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.672 -0.643 . . . . 0.0 109.972 179.348 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.84 -41.55 97.45 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -50.75 71.5 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.597 -0.943 . . . . 0.0 110.027 179.523 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.28 -41.85 99.04 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.579 -0.701 . . . . 0.0 109.951 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -39.21 93.83 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.446 -0.784 . . . . 0.0 110.023 179.4 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -65.86 -30.49 71.1 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.408 -0.808 . . . . 0.0 110.082 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.04 -30.83 69.45 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.619 -0.676 . . . . 0.0 109.818 179.076 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 t -94.25 -38.08 11.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.744 -0.597 . . . . 0.0 109.892 179.196 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -34.33 73.49 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.47 -0.769 . . . . 0.0 111.462 -179.541 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -54.7 -19.69 6.74 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.187 -0.946 . . . . 0.0 111.827 -179.546 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.12 -33.32 14.8 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.974 -1.079 . . . . 0.0 110.52 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -107.39 32.04 4.96 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.367 -0.833 . . . . 0.0 111.354 -179.537 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -108.22 40.85 1.67 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.108 -0.995 . . . . 0.0 110.603 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.463 HG23 ' O ' ' A' ' 35' ' ' ILE . 6.0 tp -106.35 37.97 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.171 -0.956 . . . . 0.0 110.882 -179.763 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.26 143.06 40.04 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.085 -1.009 . . . . 0.0 110.221 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.69 95.15 0.87 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.889 1.468 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.55 -49.51 5.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.499 -0.751 . . . . 0.0 110.08 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -95.3 -53.46 3.76 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.455 -0.778 . . . . 0.0 110.014 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.074 179.757 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 121.105 0.479 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.72 158.3 15.57 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.394 -0.816 . . . . 0.0 110.189 179.847 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -50.91 69.17 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.421 -0.799 . . . . 0.0 109.813 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.47 83.58 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.578 -0.701 . . . . 0.0 110.354 179.432 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.4 96.78 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.43 -0.794 . . . . 0.0 110.131 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.79 -38.72 86.3 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.634 -0.666 . . . . 0.0 110.291 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.7 mm -72.41 -44.12 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.468 -0.77 . . . . 0.0 109.792 179.673 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -64.58 -48.9 73.26 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.453 -0.78 . . . . 0.0 110.087 179.593 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.91 -36.9 75.73 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.384 -0.823 . . . . 0.0 110.07 179.403 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.35 -45.15 95.91 Favored Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -43.84 98.07 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.462 -1.023 . . . . 0.0 109.702 179.422 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -47.44 77.68 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.47 -0.769 . . . . 0.0 109.594 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.41 -42.39 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.625 -0.672 . . . . 0.0 109.635 179.246 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.66 91.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.493 -0.754 . . . . 0.0 110.527 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.53 -41.64 94.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.428 -0.795 . . . . 0.0 110.437 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.33 -32.94 74.85 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.419 -0.801 . . . . 0.0 110.084 179.404 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.7 mm? -76.61 -25.41 53.85 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.384 -0.822 . . . . 0.0 110.7 179.834 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -45.72 89.66 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.476 -0.765 . . . . 0.0 110.243 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -67.25 -32.55 73.64 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.529 -0.732 . . . . 0.0 110.041 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -64.53 -40.07 94.92 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.36 -0.838 . . . . 0.0 110.108 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mp -74.93 -26.37 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.468 -0.77 . . . . 0.0 109.913 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.87 -46.98 78.12 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.558 -0.714 . . . . 0.0 110.431 179.673 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.72 95.61 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.29 -41.07 86.04 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.474 -1.015 . . . . 0.0 109.827 179.273 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -30.18 70.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.761 -0.587 . . . . 0.0 110.657 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -45.92 80.45 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.331 -0.855 . . . . 0.0 110.39 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -75.16 -38.0 61.09 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.506 -0.746 . . . . 0.0 109.963 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -36.45 83.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.613 -0.679 . . . . 0.0 110.268 179.397 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 t -58.28 -42.55 86.82 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.681 -0.637 . . . . 0.0 109.958 179.548 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.01 -34.93 69.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.622 -0.674 . . . . 0.0 110.231 179.37 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.16 -32.47 71.08 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.484 -0.76 . . . . 0.0 110.606 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.57 -1.08 57.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.322 -0.862 . . . . 0.0 111.414 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -102.52 30.29 4.72 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.926 -1.109 . . . . 0.0 111.183 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -100.39 -31.19 11.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.068 -1.02 . . . . 0.0 110.464 179.496 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 35' ' ' ILE . 43.7 mm -107.42 49.52 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.258 -0.901 . . . . 0.0 109.145 178.834 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -90.83 148.25 37.86 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.236 -0.915 . . . . 0.0 110.529 -179.732 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -74.24 111.32 3.28 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 O-C-N 123.873 1.46 . . . . 0.0 110.508 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.6 -42.71 10.63 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.523 -0.736 . . . . 0.0 110.076 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.4 ptm -99.2 19.66 14.93 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.508 -0.745 . . . . 0.0 110.644 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.227 -179.928 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 121.059 0.457 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -150.42 165.05 34.31 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.417 -0.802 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -60.17 -49.23 78.44 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.469 -0.769 . . . . 0.0 110.165 179.715 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.88 96.05 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.578 -0.701 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.77 90.22 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.599 -0.688 . . . . 0.0 110.471 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -59.38 -47.7 84.45 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.468 -0.77 . . . . 0.0 110.188 179.615 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.13 -37.11 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.513 -0.742 . . . . 0.0 109.837 179.463 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.81 -44.03 97.68 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.497 -0.752 . . . . 0.0 110.091 179.405 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.2 -46.02 88.98 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.451 -0.781 . . . . 0.0 109.907 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.99 -41.47 97.29 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.511 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -58.39 -36.36 73.42 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.578 -0.954 . . . . 0.0 110.484 179.525 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -63.88 -44.65 92.4 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.394 -0.816 . . . . 0.0 110.218 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.8 mt -80.32 -44.01 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.452 -0.78 . . . . 0.0 110.315 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 18' ' ' LYS . . . -60.81 -46.19 91.5 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.325 -0.859 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.08 -47.04 69.35 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.374 -0.829 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 ttm -63.73 -34.9 78.92 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.38 -0.825 . . . . 0.0 110.468 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tp -81.02 -31.09 34.76 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.326 -0.859 . . . . 0.0 110.116 179.485 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 20.3 tptt -55.6 -45.43 77.47 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.588 -0.695 . . . . 0.0 110.629 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.0 p -61.86 -38.14 87.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.384 -0.822 . . . . 0.0 110.359 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -68.66 -40.88 79.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.434 -0.791 . . . . 0.0 110.338 179.68 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.6 mm -66.31 -30.95 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.35 -0.844 . . . . 0.0 110.185 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -50.35 73.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.531 -0.73 . . . . 0.0 109.953 179.624 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.59 -38.88 86.72 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 179.396 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.48 -42.15 98.58 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.549 -0.971 . . . . 0.0 110.338 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tp -66.6 -38.28 86.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.523 -0.736 . . . . 0.0 110.38 179.75 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -39.17 93.87 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.45 -0.781 . . . . 0.0 110.184 179.49 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -71.89 -25.28 61.86 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.375 -0.828 . . . . 0.0 110.234 179.559 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.44 -21.37 38.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.492 -0.755 . . . . 0.0 110.517 179.286 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.1 m -60.44 -50.6 72.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.397 -0.814 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -24.82 67.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.399 -0.813 . . . . 0.0 110.653 179.807 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -76.78 -34.66 57.98 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.188 -0.945 . . . . 0.0 110.341 179.667 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.97 -42.4 69.76 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.857 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -49.05 9.58 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.552 -0.717 . . . . 0.0 110.15 179.817 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 56.61 32.45 20.98 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.716 -0.615 . . . . 0.0 111.361 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 pt -146.28 69.51 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.32 -0.863 . . . . 0.0 109.726 179.286 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -81.54 124.29 80.18 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 121.341 -0.849 . . . . 0.0 110.407 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -76.24 154.72 36.95 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 O-C-N 123.86 1.453 . . . . 0.0 110.545 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.76 0.78 56.79 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.577 -0.702 . . . . 0.0 111.083 179.823 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.2 ttt -100.95 -49.14 4.21 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.109 -0.995 . . . . 0.0 110.22 179.902 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.259 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -133.7 133.55 41.99 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.379 -0.826 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -68.95 -32.42 72.01 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.548 -0.72 . . . . 0.0 110.653 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -53.84 -47.65 70.74 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.427 -0.796 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.08 -44.49 74.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.552 -0.718 . . . . 0.0 110.296 179.707 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.92 -38.71 92.08 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.5 -0.75 . . . . 0.0 110.079 179.465 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 4' ' ' ALA . 29.1 mt -71.09 -36.85 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.54 -0.725 . . . . 0.0 110.12 179.593 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -54.02 -45.8 71.65 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.43 -0.794 . . . . 0.0 110.554 179.899 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -84.37 -37.0 22.08 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.394 -0.816 . . . . 0.0 110.21 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.53 93.55 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 109.944 -1.263 . . . . 0.0 109.944 179.692 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -59.71 -38.16 80.87 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.436 -1.037 . . . . 0.0 110.676 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -54.39 -42.25 70.18 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.504 -0.748 . . . . 0.0 110.286 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -88.3 -38.27 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.463 -0.773 . . . . 0.0 109.791 179.476 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 11' ' ' GLN . . . -61.8 -43.72 98.29 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.515 -0.741 . . . . 0.0 111.09 -179.848 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 2.8 tt0 -55.03 -45.54 75.19 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.288 -0.882 . . . . 0.0 110.573 -179.803 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -42.12 95.27 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.413 -0.804 . . . . 0.0 110.069 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.13 -39.38 78.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.483 -0.761 . . . . 0.0 110.403 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.553 ' HA ' HG22 ' A' ' 21' ' ' ILE . 5.0 tmtt? -64.37 -36.21 83.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.626 -0.671 . . . . 0.0 110.456 179.755 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 t -64.96 -37.44 87.64 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.196 -0.94 . . . . 0.0 109.662 179.4 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -79.17 -40.47 30.79 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.69 -0.631 . . . . 0.0 110.312 179.643 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 18' ' ' LYS . 1.3 tp -67.38 -31.5 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.379 -0.825 . . . . 0.0 110.953 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -65.56 -48.02 73.83 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.34 -0.85 . . . . 0.0 109.789 179.627 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.73 -41.31 93.82 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 179.379 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.31 -40.24 93.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.461 -1.023 . . . . 0.0 110.137 179.601 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.56 -41.07 98.69 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.458 -0.776 . . . . 0.0 110.245 179.655 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -61.05 -43.58 98.68 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.377 -0.827 . . . . 0.0 109.455 179.339 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -36.21 74.56 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 0.0 109.88 179.055 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.82 -35.52 69.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.672 -0.643 . . . . 0.0 110.292 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 m -58.23 -45.62 87.4 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.697 -0.627 . . . . 0.0 110.194 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -47.26 50.79 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.57 -0.706 . . . . 0.0 109.871 179.589 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.53 -35.0 69.72 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.59 -0.694 . . . . 0.0 110.324 179.432 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.96 98.92 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.424 -0.798 . . . . 0.0 110.248 179.502 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -71.06 -25.49 62.66 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.284 -0.885 . . . . 0.0 110.576 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -72.76 -27.88 62.29 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.249 -0.907 . . . . 0.0 110.75 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 35' ' ' ILE . 9.6 tt -106.44 44.16 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.214 -0.929 . . . . 0.0 110.786 -179.82 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -117.12 114.93 38.64 Favored Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.013 -1.054 . . . . 0.0 110.228 179.74 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.78 142.26 31.76 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.787 1.414 . . . . 0.0 110.469 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.28 -44.64 5.87 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.594 -0.691 . . . . 0.0 110.349 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.9 -36.94 24.89 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.443 -0.786 . . . . 0.0 110.361 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.858 0 O-C-N 121.492 -0.755 . . . . 0.0 110.103 179.89 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 121.112 0.482 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.96 173.28 14.48 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.391 -0.818 . . . . 0.0 110.407 179.823 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.89 -50.6 3.07 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.498 -0.751 . . . . 0.0 110.66 -179.705 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.78 -49.25 18.68 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.422 -0.799 . . . . 0.0 110.677 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.39 -27.85 66.36 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.412 -0.805 . . . . 0.0 110.769 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -38.72 62.69 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.577 -0.702 . . . . 0.0 110.789 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt -79.36 -48.96 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.299 -0.876 . . . . 0.0 110.015 179.84 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.33 -53.65 49.27 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.536 -0.727 . . . . 0.0 110.533 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.544 ' O ' HD12 ' A' ' 13' ' ' ILE . 9.3 mt-10 -67.47 -36.93 82.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.414 -0.804 . . . . 0.0 109.955 179.508 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -53.04 -44.82 62.7 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -40.75 73.97 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.497 -1.002 . . . . 0.0 109.541 178.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -44.14 96.86 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.576 -0.702 . . . . 0.0 110.254 179.543 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 9' ' ' GLU . 1.3 mp -79.68 -31.92 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.431 -0.793 . . . . 0.0 110.254 179.693 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -52.07 -54.44 30.2 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.354 -0.841 . . . . 0.0 110.454 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -66.57 -32.64 74.11 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.466 -0.771 . . . . 0.0 110.259 179.484 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -27.96 69.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.354 -0.841 . . . . 0.0 109.792 178.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mp -80.12 -24.9 40.18 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.469 -0.769 . . . . 0.0 110.14 179.34 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -62.04 -44.53 96.49 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.486 -0.759 . . . . 0.0 110.063 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 p -67.57 -35.78 79.66 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.476 -0.765 . . . . 0.0 109.88 179.413 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.13 -41.74 93.29 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.548 -0.72 . . . . 0.0 109.848 179.349 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 mm -68.68 -32.4 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.623 -0.673 . . . . 0.0 109.591 179.268 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -46.59 89.28 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.672 -0.642 . . . . 0.0 109.626 179.12 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.45 -40.86 98.08 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.034 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.53 -42.3 98.43 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.626 -0.926 . . . . 0.0 109.699 179.157 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.94 -36.89 84.91 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.596 -0.69 . . . . 0.0 110.12 179.403 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -34.38 77.84 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.448 -0.782 . . . . 0.0 110.016 179.407 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -68.43 -33.12 73.64 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.314 -0.866 . . . . 0.0 109.824 179.152 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.27 -4.06 58.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.672 -0.643 . . . . 0.0 111.112 179.576 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.3 p -66.39 -30.86 71.33 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.175 -0.953 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 1.4 tppp? -59.03 -41.68 88.38 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.346 -0.846 . . . . 0.0 110.42 179.848 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.54 -40.16 88.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.448 -0.783 . . . . 0.0 109.824 179.345 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.16 77.89 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.489 -0.757 . . . . 0.0 110.02 179.265 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -37.86 81.61 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.319 -0.863 . . . . 0.0 109.791 179.173 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.67 -35.79 67.77 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.576 -0.702 . . . . 0.0 110.482 179.738 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.428 HG23 ' O ' ' A' ' 35' ' ' ILE . 3.5 tt -146.14 77.6 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.376 -0.828 . . . . 0.0 109.779 179.806 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.01 143.73 61.26 Favored Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.498 -0.751 . . . . 0.0 110.729 -179.5 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.99 -171.66 0.94 Allowed 'Trans proline' 0 N--CA 1.488 1.188 0 O-C-N 123.933 1.491 . . . . 0.0 110.808 179.808 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.86 -21.97 43.46 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.212 -0.93 . . . . 0.0 111.059 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.3 mtp -88.45 -38.84 14.69 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.195 -0.941 . . . . 0.0 110.721 -179.82 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.55 -179.939 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.131 0.491 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.41 122.02 32.91 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.355 -0.84 . . . . 0.0 110.196 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -101.25 -32.8 10.33 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.479 -0.763 . . . . 0.0 110.436 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.75 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -68.18 -42.54 79.82 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.382 -0.824 . . . . 0.0 109.806 179.438 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.24 -37.5 23.51 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.726 -0.609 . . . . 0.0 110.728 179.689 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -67.33 -44.72 78.4 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.479 -0.763 . . . . 0.0 110.196 179.643 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 4' ' ' ALA . 15.5 mt -60.36 -46.59 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.514 -0.741 . . . . 0.0 109.985 179.74 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.72 -49.18 78.57 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.614 -0.679 . . . . 0.0 110.159 179.555 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.93 -38.31 90.62 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.477 -0.765 . . . . 0.0 110.077 179.494 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -37.14 94.26 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.514 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.33 -41.45 84.6 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.444 -1.033 . . . . 0.0 110.02 179.564 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -44.55 66.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.495 -0.753 . . . . 0.0 109.968 179.479 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.02 -39.81 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.565 -0.709 . . . . 0.0 109.742 179.427 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.29 95.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.562 -0.711 . . . . 0.0 110.154 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -70.11 -33.73 72.22 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.42 -0.8 . . . . 0.0 110.198 179.603 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -35.07 68.78 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.38 -0.825 . . . . 0.0 109.702 179.125 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.98 -26.49 23.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.577 -0.702 . . . . 0.0 110.274 179.087 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -51.79 64.26 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.596 -0.69 . . . . 0.0 110.389 179.853 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -64.98 -34.93 79.61 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.423 -0.798 . . . . 0.0 110.264 179.664 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -63.34 -40.21 96.69 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.483 -0.761 . . . . 0.0 110.141 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 mt -65.91 -39.9 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.507 -0.746 . . . . 0.0 109.605 179.467 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -71.08 -40.48 71.54 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.747 -0.596 . . . . 0.0 109.614 179.238 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.52 -44.84 96.42 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 179.272 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.17 -44.69 88.1 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.475 -1.015 . . . . 0.0 109.775 179.266 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.13 -42.7 88.75 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.608 -0.683 . . . . 0.0 109.475 178.913 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -67.36 -31.45 71.72 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.733 -0.604 . . . . 0.0 110.091 179.558 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -59.02 -45.2 91.29 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.325 -0.86 . . . . 0.0 109.741 179.482 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.54 92.06 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.673 -0.642 . . . . 0.0 109.712 178.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 t -68.2 -35.27 77.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.823 -0.548 . . . . 0.0 109.897 179.091 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -56.59 -43.34 79.97 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.597 -0.689 . . . . 0.0 110.252 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -73.7 -32.32 63.87 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.514 -0.742 . . . . 0.0 110.19 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.07 -33.09 61.65 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.443 -0.785 . . . . 0.0 110.489 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -86.44 -31.79 21.21 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.239 -0.913 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t70 56.58 67.41 1.0 Allowed 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.608 -0.682 . . . . 0.0 110.432 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 tt -132.65 27.96 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.291 -0.88 . . . . 0.0 110.788 -179.926 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -116.12 88.55 22.64 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.118 -0.989 . . . . 0.0 110.06 179.571 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -76.42 79.85 2.89 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 O-C-N 123.929 1.489 . . . . 0.0 110.495 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.61 -34.39 15.49 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.377 -0.827 . . . . 0.0 110.703 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.5 ttp -89.97 -56.54 3.19 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.384 -0.823 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 . . . . . 0 N--CA 1.5 2.065 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.764 -179.797 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 120.991 0.424 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -137.87 154.02 49.51 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.462 -0.774 . . . . 0.0 110.385 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.493 ' HG2' ' N ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -64.15 -26.56 68.58 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.509 -0.745 . . . . 0.0 110.259 179.468 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' N ' ' HG2' ' A' ' 3' ' ' ARG . . . -76.94 -40.93 45.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.406 -0.808 . . . . 0.0 109.521 179.059 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.52 -23.97 66.31 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.643 -0.661 . . . . 0.0 110.406 179.368 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.98 -41.64 83.41 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.4 -0.813 . . . . 0.0 110.246 179.552 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.6 mt -63.65 -45.65 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.406 -0.809 . . . . 0.0 109.368 179.345 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.56 -38.51 91.25 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.615 -0.678 . . . . 0.0 109.656 179.013 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -59.65 -37.65 79.27 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.644 -0.66 . . . . 0.0 110.407 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.21 93.07 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -43.82 94.79 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.56 -0.965 . . . . 0.0 109.357 179.167 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -43.27 97.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.694 -0.629 . . . . 0.0 109.377 178.782 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.45 -41.52 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.639 -0.663 . . . . 0.0 109.505 179.228 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.19 -39.28 66.48 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.597 -0.689 . . . . 0.0 110.234 179.444 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -69.69 -42.07 74.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.383 -0.823 . . . . 0.0 109.69 179.226 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.2 ttt -64.04 -30.6 71.66 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.527 -0.733 . . . . 0.0 110.243 179.306 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD23 HD11 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -56.52 -32.29 64.94 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.645 -0.66 . . . . 0.0 110.312 179.514 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 21' ' ' ILE . 10.3 tttt -57.19 -40.62 77.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.662 -0.649 . . . . 0.0 109.836 179.15 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -62.16 -40.89 97.52 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.542 -0.724 . . . . 0.0 110.013 179.327 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -62.29 -41.5 98.54 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.498 -0.751 . . . . 0.0 109.951 179.467 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.635 HD11 HD23 ' A' ' 17' ' ' LEU . 43.4 mt -62.43 -37.31 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.573 -0.705 . . . . 0.0 109.624 179.325 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -65.38 -39.37 92.16 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.659 -0.65 . . . . 0.0 109.7 179.148 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.62 99.8 Favored Glycine 0 N--CA 1.496 2.691 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 179.124 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.38 -37.49 85.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.602 -0.94 . . . . 0.0 109.519 178.996 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.19 -40.19 93.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.687 -0.633 . . . . 0.0 109.874 179.203 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -39.81 95.82 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.629 -0.67 . . . . 0.0 110.037 179.524 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -32.64 74.41 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.456 -0.778 . . . . 0.0 110.097 179.325 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.15 -19.06 51.96 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.563 -0.71 . . . . 0.0 110.367 179.156 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -73.39 -11.2 60.39 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.475 -0.766 . . . . 0.0 111.006 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -49.65 -37.27 27.64 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.384 -0.823 . . . . 0.0 110.613 179.762 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -43.01 74.76 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.577 -0.702 . . . . 0.0 110.501 179.677 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.9 -29.81 28.94 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.398 -0.813 . . . . 0.0 110.268 179.403 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -25.4 63.64 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.557 -0.715 . . . . 0.0 110.673 179.643 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.53 -42.68 61.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.5 -0.75 . . . . 0.0 110.959 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 pt -118.71 14.37 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.378 -0.826 . . . . 0.0 111.154 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -138.95 133.19 16.31 Favored Pre-proline 0 N--CA 1.496 1.87 0 O-C-N 121.132 -0.98 . . . . 0.0 110.152 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.61 134.6 22.51 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.749 1.394 . . . . 0.0 110.433 179.782 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.56 -47.97 5.44 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.478 -0.764 . . . . 0.0 110.362 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtm -72.96 -33.56 65.95 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.504 -0.747 . . . . 0.0 110.292 179.744 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.209 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 120.983 0.421 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.6 155.39 45.75 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.497 -0.752 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -96.91 -52.46 3.87 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.48 -0.763 . . . . 0.0 109.845 179.681 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.771 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -63.29 -28.98 70.38 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.621 -0.675 . . . . 0.0 110.641 179.751 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.9 -40.75 70.12 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.486 -0.759 . . . . 0.0 110.638 179.746 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -43.97 97.62 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.406 -0.809 . . . . 0.0 110.087 179.625 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 4' ' ' ALA . 6.2 mt -63.95 -39.6 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.608 -0.682 . . . . 0.0 110.031 179.835 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.42 -39.24 93.95 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.416 -0.802 . . . . 0.0 110.152 179.631 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.24 -39.42 94.57 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.296 -0.878 . . . . 0.0 109.813 179.437 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.22 -29.9 76.3 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 179.003 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -62.74 -53.58 52.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.476 -1.014 . . . . 0.0 109.862 179.562 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 13' ' ' ILE . 8.4 ptp180 -68.64 -30.83 69.63 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.393 -0.817 . . . . 0.0 110.398 179.593 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.458 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 46.0 mt -70.84 -42.63 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.17 -0.957 . . . . 0.0 109.332 179.032 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.76 79.1 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 0.0 110.388 179.426 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.46 -42.85 92.96 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.396 -0.815 . . . . 0.0 110.173 179.738 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -34.44 67.95 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.5 -0.75 . . . . 0.0 110.16 179.458 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.03 -27.42 66.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.502 -0.749 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HA ' HD12 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -54.37 -49.68 69.27 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.511 -0.743 . . . . 0.0 110.562 -179.948 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -61.26 -36.86 81.17 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.438 -0.789 . . . . 0.0 110.171 179.684 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -38.2 85.28 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.54 -0.725 . . . . 0.0 110.254 179.534 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 18' ' ' LYS . 25.1 mt -64.95 -38.94 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.528 -0.733 . . . . 0.0 110.087 179.75 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -65.17 -45.7 83.81 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.68 -0.637 . . . . 0.0 109.971 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.12 -42.84 97.9 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.94 -38.29 90.54 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.645 -0.915 . . . . 0.0 109.682 179.068 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -62.11 -38.8 90.26 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.545 -0.722 . . . . 0.0 109.983 179.3 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -60.66 -42.84 97.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.463 -0.773 . . . . 0.0 109.674 179.367 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -77.14 -40.84 44.15 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.44 -0.788 . . . . 0.0 110.03 179.378 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.39 -33.6 72.71 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.691 -0.631 . . . . 0.0 110.528 179.63 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 m -59.7 -38.89 82.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.574 -0.704 . . . . 0.0 110.09 179.507 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.04 -38.28 53.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.499 -0.751 . . . . 0.0 109.881 179.334 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -33.47 75.61 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.57 -0.706 . . . . 0.0 110.035 179.552 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.29 -3.08 31.29 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.43 -0.794 . . . . 0.0 111.194 179.651 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -91.92 1.94 56.86 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.09 -1.006 . . . . 0.0 111.389 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.01 51.79 0.48 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.976 -1.077 . . . . 0.0 110.747 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.416 ' C ' HD12 ' A' ' 35' ' ' ILE . 1.8 pp -131.49 32.63 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.193 -0.942 . . . . 0.0 110.732 179.528 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.98 91.75 36.96 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.175 -0.953 . . . . 0.0 110.09 179.78 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -74.17 95.88 0.93 Allowed 'Trans proline' 0 C--N 1.313 -1.319 0 O-C-N 123.873 1.459 . . . . 0.0 110.704 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.36 -47.85 25.72 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.361 -0.837 . . . . 0.0 110.127 179.718 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.1 mtt -101.27 -47.79 4.6 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.439 -0.788 . . . . 0.0 109.956 179.664 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 117.85 -1.071 . . . . 0.0 110.122 179.774 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 121.103 0.477 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.09 135.68 37.75 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.426 -0.796 . . . . 0.0 110.181 179.926 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 mtt85 -104.7 -47.44 4.06 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.445 -0.784 . . . . 0.0 110.755 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.74 -45.24 74.1 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.762 . . . . 0.0 110.776 -179.851 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.91 90.51 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.453 -0.779 . . . . 0.0 110.348 179.728 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 tp -63.18 -34.41 77.57 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.545 -0.722 . . . . 0.0 110.283 179.487 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 mt -81.77 -37.75 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.388 -0.82 . . . . 0.0 109.591 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.24 -49.26 72.44 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.791 -0.568 . . . . 0.0 111.061 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 10' ' ' GLY . 14.8 pt-20 -60.88 -35.74 77.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.202 -0.936 . . . . 0.0 110.296 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 9' ' ' GLU . . . -77.62 -35.38 36.56 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.307 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -45.41 74.71 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.582 -0.952 . . . . 0.0 110.293 179.804 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -59.82 -36.4 76.73 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.612 -0.68 . . . . 0.0 110.335 179.718 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.44 -42.63 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.465 -0.772 . . . . 0.0 110.035 179.827 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.96 95.99 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.603 -0.686 . . . . 0.0 111.158 -179.661 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.14 -52.05 67.37 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.408 -0.807 . . . . 0.0 110.399 -179.794 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.4 ttm -67.63 -36.08 80.13 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.479 -0.763 . . . . 0.0 110.312 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 21' ' ' ILE . 21.8 tp -69.56 -33.96 73.5 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.404 -0.81 . . . . 0.0 110.665 179.849 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -51.42 -49.65 61.21 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.596 -0.69 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.9 t -61.86 -38.45 88.32 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.592 -0.693 . . . . 0.0 109.995 179.417 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -66.46 -42.03 88.16 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.602 -0.686 . . . . 0.0 110.13 179.495 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 17' ' ' LEU . 46.3 mm -66.55 -33.52 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.552 -0.717 . . . . 0.0 110.05 179.569 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -58.65 -49.23 78.3 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.541 -0.724 . . . . 0.0 109.492 179.323 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.56 -44.47 63.86 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.088 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -44.4 87.79 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.528 -0.984 . . . . 0.0 110.17 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.96 -44.47 94.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.623 -0.673 . . . . 0.0 109.979 179.424 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.28 -43.75 80.99 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.452 -0.78 . . . . 0.0 109.874 179.476 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.67 -38.02 89.55 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.525 -0.734 . . . . 0.0 110.066 179.368 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -30.95 71.8 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.695 -0.628 . . . . 0.0 110.336 179.364 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -59.22 -48.98 79.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.617 -0.677 . . . . 0.0 109.997 179.536 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -77.68 -31.08 52.28 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.519 -0.738 . . . . 0.0 110.202 179.392 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -69.98 -28.87 65.89 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.048 -1.032 . . . . 0.0 110.315 179.437 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.49 -43.19 10.41 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.405 -0.809 . . . . 0.0 110.737 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' CB ' ' A' ' 34' ' ' ASP . 2.4 mp0 -96.3 -52.22 4.08 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.309 -0.87 . . . . 0.0 110.449 -179.727 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 0.4 OUTLIER 73.08 -50.57 0.7 Allowed 'General case' 0 N--CA 1.507 2.393 0 O-C-N 122.018 -0.426 . . . . 0.0 111.133 179.928 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 35' ' ' ILE . 9.4 tt -149.43 69.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.388 -0.82 . . . . 0.0 109.932 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.1 139.03 34.49 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.181 -0.949 . . . . 0.0 110.442 -179.874 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -82.06 29.96 0.53 Allowed 'Trans proline' 0 C--N 1.314 -1.262 0 O-C-N 123.847 1.446 . . . . 0.0 111.208 179.551 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.97 20.74 16.65 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.106 -0.996 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.0 ptp -93.06 -27.1 17.18 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.121 -0.987 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.251 -0.906 . . . . 0.0 110.506 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.524 0 N-CA-C 109.166 -1.574 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.5 -44.07 96.35 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.573 -0.957 . . . . 0.0 109.775 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -66.85 -43.66 83.06 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.545 -0.722 . . . . 0.0 109.963 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.55 -42.9 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.434 -0.791 . . . . 0.0 109.875 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.74 89.34 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.569 -0.707 . . . . 0.0 110.697 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -46.75 87.75 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.325 -0.859 . . . . 0.0 110.11 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -41.83 73.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.476 -0.765 . . . . 0.0 110.056 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.06 -32.24 73.73 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.454 -0.779 . . . . 0.0 110.437 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -49.21 78.48 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.432 -0.792 . . . . 0.0 109.799 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 m -67.84 -33.43 74.75 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.608 -0.683 . . . . 0.0 110.137 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -62.31 -41.75 98.8 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.391 -0.818 . . . . 0.0 110.241 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.09 -33.44 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.522 -0.736 . . . . 0.0 109.943 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -45.88 89.12 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.467 -0.77 . . . . 0.0 109.721 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.33 -38.98 96.58 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.38 -40.16 95.27 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.492 -1.005 . . . . 0.0 110.191 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.29 -44.19 97.09 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.439 -0.788 . . . . 0.0 110.309 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 O-C-N 121.505 -0.747 . . . . 0.0 109.904 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.617 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.53 -46.64 89.4 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.245 -1.15 . . . . 0.0 110.427 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' MET . 0.0 OUTLIER -60.88 -34.64 74.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.453 -0.78 . . . . 0.0 111.048 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mm -89.41 -33.27 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.362 -0.836 . . . . 0.0 110.721 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.35 -62.26 1.73 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.428 -0.795 . . . . 0.0 111.265 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -67.79 -34.91 77.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.348 -0.845 . . . . 0.0 110.768 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -60.56 -47.65 85.24 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.333 -0.854 . . . . 0.0 110.272 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.414 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -81.0 -20.38 41.91 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.457 -0.777 . . . . 0.0 110.93 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' HG22 ' A' ' 21' ' ' ILE . 33.2 tttt -62.87 -46.9 85.71 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.307 -0.871 . . . . 0.0 109.947 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.5 m -71.21 -36.7 71.97 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.373 -0.83 . . . . 0.0 109.503 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -67.71 -42.09 82.5 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.65 -0.656 . . . . 0.0 110.479 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 18' ' ' LYS . 2.7 tp -61.9 -29.75 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.241 -0.912 . . . . 0.0 110.199 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -39.58 63.08 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.461 -0.775 . . . . 0.0 109.684 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.2 -39.64 36.3 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 24' ' ' LEU . 2.4 mm? -60.03 -43.22 95.46 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.501 -0.999 . . . . 0.0 110.351 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.38 -44.0 97.92 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.511 -0.743 . . . . 0.0 110.255 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 . . . . . 0 N--CA 1.495 1.798 0 O-C-N 121.516 -0.74 . . . . 0.0 110.365 179.652 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.464 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -55.2 -45.81 75.87 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.193 -1.181 . . . . 0.0 110.534 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 12.7 tpt85 -86.07 -25.71 25.72 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.295 -0.878 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.8 mm -81.49 -23.7 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.144 -0.972 . . . . 0.0 110.489 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.74 84.53 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.404 -0.81 . . . . 0.0 111.091 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 11.1 pt-20 -58.27 -34.76 70.85 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.212 -0.93 . . . . 0.0 110.429 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.4 mtp -79.09 -43.29 24.43 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.368 -0.832 . . . . 0.0 109.864 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.1 mm? -68.5 -24.33 64.66 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.459 -0.776 . . . . 0.0 110.72 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.18 -48.74 80.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 0.0 110.098 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -60.84 -36.93 80.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.473 -0.767 . . . . 0.0 110.222 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -54.78 19.01 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.56 -0.712 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.69 -34.28 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.517 -0.739 . . . . 0.0 110.255 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.87 -42.39 66.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.494 -0.754 . . . . 0.0 109.899 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.53 -39.86 93.7 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.17 -44.41 95.52 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.481 -1.011 . . . . 0.0 109.87 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.427 ' HA ' HD13 ' A' ' 25' ' ' LEU . 3.6 mm? -73.45 -36.71 65.94 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.512 -0.743 . . . . 0.0 110.423 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 . . . . . 0 N--CA 1.499 2.005 0 O-C-N 121.536 -0.727 . . . . 0.0 110.634 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.664 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -57.99 -39.63 78.72 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.415 -1.05 . . . . 0.0 109.673 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -74.1 -39.75 63.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.61 -0.681 . . . . 0.0 109.741 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.11 -42.15 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.609 -0.682 . . . . 0.0 109.748 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.98 71.08 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.545 -0.722 . . . . 0.0 110.181 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -41.22 28.3 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.538 -0.726 . . . . 0.0 110.094 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.5 tpt -59.48 -35.91 75.01 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.394 -0.816 . . . . 0.0 110.602 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 tp -68.66 -35.29 77.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.258 -0.901 . . . . 0.0 110.308 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -43.79 67.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.486 -0.759 . . . . 0.0 110.474 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.4 p -66.95 -25.91 66.58 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.334 -0.854 . . . . 0.0 110.687 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -45.57 31.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.246 -0.909 . . . . 0.0 110.116 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.78 -34.42 56.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.467 -0.771 . . . . 0.0 110.462 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.98 -41.98 15.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.378 -0.826 . . . . 0.0 110.257 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.83 -44.52 97.75 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.21 -50.27 74.67 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.632 -0.922 . . . . 0.0 110.001 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.18 -42.81 99.24 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.56 -0.712 . . . . 0.0 109.706 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.496 1.841 0 O-C-N 121.637 -0.664 . . . . 0.0 109.836 179.31 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.578 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -56.59 -46.0 81.09 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.417 -1.049 . . . . 0.0 110.093 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -64.62 -47.05 79.99 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.406 -0.809 . . . . 0.0 110.177 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.66 -40.8 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.396 -0.815 . . . . 0.0 109.925 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.04 98.26 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.531 -0.731 . . . . 0.0 110.645 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.65 -43.74 92.67 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.383 -0.823 . . . . 0.0 110.173 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 ttm -60.87 -37.12 81.04 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.562 -0.711 . . . . 0.0 110.19 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 tp -69.32 -41.27 76.91 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.496 -0.753 . . . . 0.0 110.358 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' A' ' 21' ' ' ILE . 7.7 mttt -57.27 -48.59 78.48 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.603 -0.685 . . . . 0.0 110.187 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -37.39 87.2 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.451 -0.781 . . . . 0.0 110.197 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -63.67 -38.14 89.99 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.422 -0.799 . . . . 0.0 110.373 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 18' ' ' LYS . 35.6 mt -66.29 -37.18 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.476 -0.765 . . . . 0.0 109.967 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -68.79 -41.77 78.27 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.53 -0.731 . . . . 0.0 110.169 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.9 -37.16 94.25 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.28 -43.15 87.22 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.45 -1.029 . . . . 0.0 110.217 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -39.15 83.86 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.394 -0.816 . . . . 0.0 110.007 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.822 0 O-C-N 121.554 -0.716 . . . . 0.0 110.386 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.635 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -58.01 -44.91 87.54 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.428 -1.042 . . . . 0.0 110.163 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -63.61 -45.69 89.17 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.556 -0.715 . . . . 0.0 110.031 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mt -68.11 -41.64 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.474 -0.767 . . . . 0.0 109.907 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.653 -0.654 . . . . 0.0 110.79 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -45.61 46.69 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.395 -0.816 . . . . 0.0 110.072 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -44.07 97.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.599 -0.688 . . . . 0.0 110.019 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -36.36 84.12 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.47 -0.769 . . . . 0.0 110.093 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -45.1 94.12 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.786 -0.571 . . . . 0.0 110.096 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -69.08 -36.86 78.08 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.549 -0.72 . . . . 0.0 110.387 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -64.44 -43.44 94.31 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.445 -0.785 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.586 ' HA ' HD21 ' A' ' 24' ' ' LEU . 20.9 mm -62.83 -34.37 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.604 -0.685 . . . . 0.0 110.263 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -75.7 -32.17 59.99 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.484 -0.76 . . . . 0.0 110.308 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.3 -53.79 37.0 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.586 HD21 ' HA ' ' A' ' 21' ' ' ILE . 3.6 pp -63.62 -28.28 69.81 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.394 -1.062 . . . . 0.0 110.817 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.3 -43.31 98.21 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.354 -0.841 . . . . 0.0 110.302 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 O-C-N 121.427 -0.796 . . . . 0.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.58 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -54.43 -44.46 72.47 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.483 -1.01 . . . . 0.0 110.091 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -77.31 -36.86 53.71 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.567 -0.708 . . . . 0.0 110.014 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -62.83 -44.33 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.368 -0.833 . . . . 0.0 109.342 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.64 98.67 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.681 -0.637 . . . . 0.0 110.197 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.21 -41.67 93.54 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.573 -0.705 . . . . 0.0 110.097 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.0 mtt -62.73 -43.03 99.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.547 -0.721 . . . . 0.0 110.141 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -38.04 89.63 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.537 -0.727 . . . . 0.0 110.227 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -39.73 95.36 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.671 -0.643 . . . . 0.0 110.026 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 t -66.12 -40.32 90.6 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.408 -0.807 . . . . 0.0 109.606 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -64.27 -41.25 97.0 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.6 -0.688 . . . . 0.0 110.296 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -32.48 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.462 -0.774 . . . . 0.0 110.077 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -40.21 91.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.471 -0.768 . . . . 0.0 109.702 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.66 -39.03 93.66 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.32 -38.91 93.01 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.401 -1.058 . . . . 0.0 110.101 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.11 -36.58 84.06 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.608 -0.683 . . . . 0.0 110.203 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 . . . . . 0 N--CA 1.495 1.824 0 O-C-N 121.513 -0.742 . . . . 0.0 110.367 179.507 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.665 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -43.34 81.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.75 -0.853 . . . . 0.0 109.549 178.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.13 -45.52 88.19 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.638 -0.664 . . . . 0.0 109.638 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -64.19 -41.77 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.555 -0.716 . . . . 0.0 109.525 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.27 89.83 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.684 -0.635 . . . . 0.0 110.154 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.52 -47.45 83.87 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.448 -0.783 . . . . 0.0 109.87 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.9 ttt -64.51 -39.81 94.47 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.493 -0.754 . . . . 0.0 110.054 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.87 -40.94 90.34 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.647 -0.658 . . . . 0.0 109.843 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -38.18 90.13 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.688 -0.633 . . . . 0.0 110.0 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -64.79 -38.38 90.78 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.404 -0.81 . . . . 0.0 109.769 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -65.48 -38.79 90.82 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.526 -0.734 . . . . 0.0 109.982 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.3 mm -68.27 -35.19 70.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.518 -0.739 . . . . 0.0 109.729 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -42.43 99.77 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.63 -0.669 . . . . 0.0 109.738 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.47 -38.58 95.95 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.98 -38.08 89.73 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.533 -0.981 . . . . 0.0 109.88 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.77 -37.78 85.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.51 -0.744 . . . . 0.0 109.968 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 N--CA 1.497 1.916 0 O-C-N 121.542 -0.724 . . . . 0.0 109.955 179.438 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.545 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.7 -40.2 82.96 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.591 -0.947 . . . . 0.0 109.794 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -65.47 -46.59 79.18 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.532 -0.73 . . . . 0.0 109.704 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 17' ' ' LEU . 44.3 mm -69.09 -37.57 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.384 -0.822 . . . . 0.0 109.642 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -39.82 74.12 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.555 -0.715 . . . . 0.0 110.435 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -46.91 61.58 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.349 -0.844 . . . . 0.0 109.7 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -38.45 81.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.391 -0.818 . . . . 0.0 109.717 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.475 HD12 HG22 ' A' ' 13' ' ' ILE . 8.7 mt -69.82 -30.3 67.78 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.526 -0.734 . . . . 0.0 110.277 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -43.76 85.02 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.614 -0.678 . . . . 0.0 110.123 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 t -63.23 -41.02 99.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.424 -0.797 . . . . 0.0 109.789 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -66.1 -43.86 86.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.633 -0.667 . . . . 0.0 110.226 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.7 mt -66.43 -32.13 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.505 -0.747 . . . . 0.0 110.108 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.44 -46.71 87.97 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.534 -0.729 . . . . 0.0 109.875 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.33 -36.53 91.79 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.17 -41.63 94.45 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.493 -1.004 . . . . 0.0 109.84 179.231 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.95 -37.34 84.36 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.414 -0.803 . . . . 0.0 109.862 179.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.839 0 O-C-N 121.54 -0.725 . . . . 0.0 109.971 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.628 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -54.79 22.96 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.4 -1.059 . . . . 0.0 111.017 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -65.13 -29.24 70.08 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.091 -1.005 . . . . 0.0 110.939 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.6 mt -81.97 -41.01 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.189 -0.945 . . . . 0.0 110.064 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.64 -51.24 57.34 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.437 -0.79 . . . . 0.0 110.082 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.25 -44.97 93.68 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.545 -0.722 . . . . 0.0 109.614 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.5 tpp -59.83 -37.47 79.3 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.586 -0.697 . . . . 0.0 109.741 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -43.84 98.28 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.65 -0.656 . . . . 0.0 109.991 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -45.14 94.5 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.756 -0.59 . . . . 0.0 109.658 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -36.51 83.4 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.602 -0.686 . . . . 0.0 109.732 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -37.85 88.36 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.478 -0.763 . . . . 0.0 110.083 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.82 -37.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.461 -0.774 . . . . 0.0 109.699 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.65 -43.42 93.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.592 -0.692 . . . . 0.0 109.556 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.47 97.56 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.01 -40.71 85.77 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.588 -0.948 . . . . 0.0 109.954 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -61.25 -43.46 98.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.543 -0.723 . . . . 0.0 109.402 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.808 0 O-C-N 121.609 -0.682 . . . . 0.0 109.692 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.558 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -47.55 80.47 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.763 -0.845 . . . . 0.0 109.572 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -41.95 93.36 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.65 -0.656 . . . . 0.0 109.958 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mm -64.97 -42.43 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.323 -0.861 . . . . 0.0 109.139 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.16 85.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.66 -0.65 . . . . 0.0 110.045 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.66 -51.07 68.71 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.544 -0.722 . . . . 0.0 109.606 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -34.95 79.37 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.62 -0.675 . . . . 0.0 110.207 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.58 -31.88 71.38 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.388 -0.82 . . . . 0.0 110.341 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -59.07 -48.26 82.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.516 -0.74 . . . . 0.0 110.085 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -71.87 -34.12 68.94 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -48.22 76.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.553 -0.717 . . . . 0.0 110.186 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' HA ' HD13 ' A' ' 21' ' ' ILE . 23.8 mm -62.72 -33.8 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.386 -0.822 . . . . 0.0 110.155 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -43.6 84.96 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.408 -0.807 . . . . 0.0 109.862 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -40.54 59.12 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.81 -47.48 84.92 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.591 -0.946 . . . . 0.0 110.12 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.24 -39.56 90.77 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.452 -0.78 . . . . 0.0 110.06 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? . . . . . 0 N--CA 1.496 1.856 0 O-C-N 121.544 -0.722 . . . . 0.0 109.784 179.387 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.619 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.55 -39.27 87.35 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.554 -0.968 . . . . 0.0 109.776 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.95 98.49 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.6 -0.688 . . . . 0.0 109.732 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.02 -41.61 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.559 -0.713 . . . . 0.0 109.443 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.01 -41.93 84.17 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.645 -0.659 . . . . 0.0 110.419 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.66 -46.13 89.61 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.344 -0.847 . . . . 0.0 110.108 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.8 tpp -60.77 -37.08 80.64 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.487 -0.758 . . . . 0.0 109.818 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.29 -37.42 85.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.491 -0.756 . . . . 0.0 110.172 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -42.96 99.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.747 -0.595 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -69.67 -35.83 75.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.617 -0.677 . . . . 0.0 110.0 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -61.57 -41.7 97.77 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.448 -0.783 . . . . 0.0 109.605 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 24' ' ' LEU . 25.5 mm -67.35 -36.1 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.655 -0.653 . . . . 0.0 109.765 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -64.05 -43.86 94.22 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.62 -0.675 . . . . 0.0 109.79 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.7 -40.22 98.48 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 21' ' ' ILE . 32.0 mt -61.9 -45.11 95.14 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.436 -1.037 . . . . 0.0 109.828 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.96 -39.0 87.88 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.58 -0.7 . . . . 0.0 110.2 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 . . . . . 0 N--CA 1.496 1.851 0 O-C-N 121.529 -0.732 . . . . 0.0 110.268 179.556 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.609 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -57.01 -40.38 76.54 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.475 -1.015 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -62.16 -51.88 66.09 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.359 -0.838 . . . . 0.0 109.923 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.9 mt -66.3 -41.14 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.609 -0.682 . . . . 0.0 109.825 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -45.47 94.65 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.456 -0.777 . . . . 0.0 110.411 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.24 -39.99 84.51 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.465 -0.772 . . . . 0.0 110.366 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.1 mtt -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.474 -0.766 . . . . 0.0 109.823 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 17' ' ' LEU . 2.5 mm? -78.26 -32.03 49.4 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.445 -0.784 . . . . 0.0 110.396 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' A' ' 21' ' ' ILE . 22.6 mttm -53.58 -49.63 67.31 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.708 -0.62 . . . . 0.0 110.49 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -61.09 -38.65 87.04 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.457 -0.777 . . . . 0.0 110.185 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.97 -36.73 85.35 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.526 -0.734 . . . . 0.0 110.274 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 18' ' ' LYS . 22.9 mt -68.95 -32.47 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.472 -0.768 . . . . 0.0 109.707 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -68.21 -44.31 76.07 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.526 -0.734 . . . . 0.0 110.283 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.65 -42.58 99.67 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.11 -43.91 81.26 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.583 -0.951 . . . . 0.0 110.154 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.56 -34.62 77.43 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.56 -0.713 . . . . 0.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 . . . . . 0 N--CA 1.5 2.072 0 O-C-N 121.366 -0.834 . . . . 0.0 109.871 179.616 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.516 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -42.31 98.86 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.411 -1.052 . . . . 0.0 110.156 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -39.89 95.43 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.422 -0.799 . . . . 0.0 109.957 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -77.13 -41.69 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.407 -0.808 . . . . 0.0 109.906 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.49 -47.5 72.97 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.551 -0.718 . . . . 0.0 110.564 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -48.41 79.41 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.396 -0.815 . . . . 0.0 109.943 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.2 mmm -61.44 -37.87 85.1 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.456 -0.777 . . . . 0.0 109.798 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -40.12 90.12 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.613 -0.679 . . . . 0.0 110.134 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -43.01 81.65 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.71 -0.619 . . . . 0.0 109.932 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -57.34 -35.28 69.7 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.576 -0.702 . . . . 0.0 110.236 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -73.47 -46.03 50.64 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.518 -0.739 . . . . 0.0 110.042 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 21' ' ' ILE . 25.1 mm -64.75 -37.09 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.496 -0.753 . . . . 0.0 110.138 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -79.02 -38.84 35.56 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.631 -0.668 . . . . 0.0 109.914 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.55 99.55 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.93 -27.91 69.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.607 -0.937 . . . . 0.0 110.094 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.19 -34.4 49.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.478 -0.764 . . . . 0.0 110.202 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 . . . . . 0 N--CA 1.5 2.027 0 O-C-N 121.312 -0.868 . . . . 0.0 110.191 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.656 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -40.99 93.62 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.581 -0.952 . . . . 0.0 110.072 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -65.39 -40.09 93.03 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.506 -0.746 . . . . 0.0 110.142 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 mm -76.53 -40.15 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.45 -0.782 . . . . 0.0 109.742 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.71 71.55 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.48 -0.762 . . . . 0.0 110.226 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -71.81 -50.1 32.73 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.442 -0.786 . . . . 0.0 109.864 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -40.46 78.52 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.522 -0.736 . . . . 0.0 110.348 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.2 mm? -72.09 -37.88 69.49 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.435 -0.791 . . . . 0.0 110.089 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -50.52 72.0 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.65 -0.656 . . . . 0.0 110.274 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -59.23 -35.39 73.56 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.636 -0.665 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -38.6 88.81 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.26 -0.9 . . . . 0.0 109.925 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.9 mt -68.64 -34.37 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.599 -0.688 . . . . 0.0 110.018 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.18 -43.08 74.95 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.576 -0.703 . . . . 0.0 110.095 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.29 -44.7 96.56 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.83 -38.07 81.01 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.588 -0.948 . . . . 0.0 110.398 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.98 -48.23 77.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.408 -0.807 . . . . 0.0 110.115 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.882 0 O-C-N 121.407 -0.808 . . . . 0.0 109.777 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.587 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -56.75 -30.59 63.72 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.145 -1.209 . . . . 0.0 110.672 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -68.54 -47.44 66.89 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.301 -0.874 . . . . 0.0 109.413 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.603 HG22 HD13 ' A' ' 17' ' ' LEU . 2.8 mp -74.92 -33.61 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.592 -0.692 . . . . 0.0 109.896 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.98 62.76 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.557 -0.714 . . . . 0.0 110.711 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.47 -42.89 99.8 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.314 -0.866 . . . . 0.0 110.117 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.7 ttp -63.12 -42.92 99.61 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.489 -0.757 . . . . 0.0 110.091 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.603 HD13 HG22 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.3 -30.35 63.33 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.407 -0.808 . . . . 0.0 110.403 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -60.03 -52.84 63.67 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.598 -0.688 . . . . 0.0 110.121 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.4 m -61.38 -40.15 93.26 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.47 -0.769 . . . . 0.0 110.012 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -44.11 90.67 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.59 -0.694 . . . . 0.0 110.129 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mt -63.38 -30.42 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.568 -0.707 . . . . 0.0 110.327 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -50.03 75.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.411 -0.806 . . . . 0.0 109.717 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.45 -37.53 79.0 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.81 -41.86 97.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.478 -1.013 . . . . 0.0 109.759 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -34.92 79.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.557 -0.715 . . . . 0.0 110.484 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 N--CA 1.499 1.976 0 O-C-N 121.37 -0.831 . . . . 0.0 109.958 179.791 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.55 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -56.25 -41.16 75.32 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.489 -1.006 . . . . 0.0 110.859 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -58.08 -51.12 71.01 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.312 -0.868 . . . . 0.0 110.244 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.23 -39.18 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.465 -0.772 . . . . 0.0 109.731 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.88 73.69 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 0.0 110.263 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -44.16 78.51 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.401 -0.812 . . . . 0.0 109.974 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.0 mtt -60.96 -38.35 85.61 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 110.291 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.88 -35.09 79.23 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.424 -0.798 . . . . 0.0 110.359 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -44.71 69.75 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.44 -0.788 . . . . 0.0 110.234 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -61.9 -39.45 92.02 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.445 -0.785 . . . . 0.0 110.301 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.76 -39.91 91.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.543 -0.723 . . . . 0.0 110.494 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.8 mt -67.58 -33.95 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.461 -0.775 . . . . 0.0 110.189 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -46.44 83.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.543 -0.723 . . . . 0.0 110.263 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.53 -38.44 95.73 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -63.06 -42.49 99.72 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.477 -1.014 . . . . 0.0 110.185 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -41.95 96.74 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.504 -0.748 . . . . 0.0 110.315 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 O-C-N 121.413 -0.805 . . . . 0.0 109.99 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.745 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -57.17 -33.79 67.8 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.171 -1.193 . . . . 0.0 110.578 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -71.92 -39.91 69.14 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.37 -0.831 . . . . 0.0 109.951 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.8 mt -74.53 -46.77 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.775 . . . . 0.0 109.703 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.41 92.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.575 -0.703 . . . . 0.0 110.213 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.55 -44.29 97.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.429 -0.794 . . . . 0.0 109.779 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.7 mtm -63.77 -38.48 91.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.445 -0.785 . . . . 0.0 109.592 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.55 -35.18 75.41 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.66 -0.65 . . . . 0.0 109.682 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -59.69 -41.39 90.61 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -36.44 82.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.699 -0.626 . . . . 0.0 109.893 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -42.33 99.65 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.481 -0.762 . . . . 0.0 109.631 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -66.9 -33.22 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.635 -0.666 . . . . 0.0 109.893 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -44.85 92.7 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.621 -0.674 . . . . 0.0 109.79 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.66 -39.48 97.96 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.196 -1.561 . . . . 0.0 109.196 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.2 -42.67 86.69 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.522 -0.987 . . . . 0.0 109.711 179.231 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -34.89 69.3 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.511 -0.743 . . . . 0.0 110.129 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.07 0 O-C-N 121.52 -0.737 . . . . 0.0 110.177 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.625 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -61.28 -41.14 96.44 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.483 -1.01 . . . . 0.0 109.687 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -41.47 75.47 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.515 -0.741 . . . . 0.0 109.388 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.15 -40.92 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.626 -0.671 . . . . 0.0 109.247 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.78 76.77 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.551 -0.718 . . . . 0.0 110.186 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -47.18 82.38 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.39 -0.819 . . . . 0.0 109.526 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.5 tpp -72.88 -29.47 63.19 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.421 -0.799 . . . . 0.0 109.99 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.2 tp -57.75 -41.15 81.35 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.599 -0.688 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -61.48 -43.91 98.02 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.586 -0.696 . . . . 0.0 109.322 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 m -63.61 -38.16 90.08 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.685 -0.634 . . . . 0.0 109.542 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -63.13 -41.26 99.28 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.719 -0.613 . . . . 0.0 109.868 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.5 -36.35 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.549 -0.72 . . . . 0.0 109.879 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -69.91 -44.56 69.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.556 -0.715 . . . . 0.0 109.926 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.44 -43.48 98.69 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -41.1 92.85 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.605 -0.938 . . . . 0.0 110.013 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.57 -42.43 96.62 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.524 -0.735 . . . . 0.0 110.109 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 N--CA 1.496 1.83 0 O-C-N 121.446 -0.784 . . . . 0.0 109.846 179.427 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.434 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -55.57 -38.67 69.65 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.495 -1.003 . . . . 0.0 111.135 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -45.4 93.49 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.377 -0.827 . . . . 0.0 110.489 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.74 -35.94 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.337 -0.852 . . . . 0.0 109.908 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.89 74.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.404 -0.81 . . . . 0.0 110.218 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.09 -44.99 95.46 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 110.262 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.5 mtm -66.84 -41.97 86.55 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.546 -0.721 . . . . 0.0 110.408 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.06 -26.97 61.48 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.458 -0.777 . . . . 0.0 110.615 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -58.58 -51.73 68.64 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.616 -0.677 . . . . 0.0 110.349 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -62.64 -33.47 75.1 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 110.439 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -47.56 72.09 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.366 -0.834 . . . . 0.0 110.343 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -65.35 -33.83 66.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.459 -0.776 . . . . 0.0 110.345 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -45.12 91.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.499 -0.751 . . . . 0.0 109.863 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.65 -38.54 93.31 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.3 -42.2 90.81 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.588 -0.948 . . . . 0.0 110.235 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.47 -39.22 88.67 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.54 -0.725 . . . . 0.0 109.986 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.872 0 O-C-N 121.438 -0.789 . . . . 0.0 109.98 179.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.686 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -62.8 -44.69 95.51 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.596 -0.943 . . . . 0.0 109.779 179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -43.47 97.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.57 -0.706 . . . . 0.0 109.451 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -66.26 -40.96 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.662 -0.649 . . . . 0.0 109.402 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.44 -42.42 70.55 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.634 -0.667 . . . . 0.0 109.928 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.64 -43.61 84.18 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.461 -0.775 . . . . 0.0 109.548 178.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 tpt -58.98 -39.13 80.84 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.688 -0.633 . . . . 0.0 110.237 179.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -42.8 96.01 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.586 -0.696 . . . . 0.0 110.131 179.65 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -60.24 -44.18 95.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.761 -0.587 . . . . 0.0 110.132 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t -65.94 -36.01 82.19 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.48 -0.763 . . . . 0.0 110.402 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -62.33 -47.37 84.54 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.361 -0.837 . . . . 0.0 110.491 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.1 mp -62.45 -35.76 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.478 -0.764 . . . . 0.0 110.169 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -67.79 -42.82 81.04 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.598 -0.689 . . . . 0.0 109.884 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.29 96.92 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 21' ' ' ILE . 25.3 mt -61.58 -40.84 96.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.605 -0.938 . . . . 0.0 109.922 179.264 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.76 -40.17 94.23 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.671 -0.643 . . . . 0.0 109.852 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.809 0 O-C-N 121.482 -0.761 . . . . 0.0 110.206 179.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.63 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.45 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 1.1 tt0 -60.74 -31.06 70.4 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.41 -1.053 . . . . 0.0 110.43 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.26 72.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.178 -0.951 . . . . 0.0 110.636 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.2 mt -92.28 -58.14 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.349 -0.845 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.83 -51.06 62.35 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.452 -0.78 . . . . 0.0 111.686 -178.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 11' ' ' GLN . 2.4 tt0 -63.42 -49.7 72.69 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.23 -0.919 . . . . 0.0 110.645 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -41.46 98.89 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.328 -0.858 . . . . 0.0 110.8 -179.858 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.0 mm? -63.01 -32.2 73.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.221 -0.924 . . . . 0.0 110.504 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -49.74 76.46 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.519 -0.738 . . . . 0.0 109.832 179.563 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -73.95 -33.32 63.86 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.94 179.166 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -60.91 -37.2 81.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.554 -0.716 . . . . 0.0 110.28 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -36.37 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.496 -0.753 . . . . 0.0 109.977 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.08 -41.69 67.05 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.519 -0.738 . . . . 0.0 110.034 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.99 -44.54 88.43 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.26 -40.88 82.99 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.613 -0.933 . . . . 0.0 110.199 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.94 -34.9 79.17 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.494 -0.754 . . . . 0.0 110.291 179.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.892 0 O-C-N 121.367 -0.833 . . . . 0.0 110.272 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.539 0 N-CA-C 110.563 -1.015 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -55.88 3.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.033 -1.275 . . . . 0.0 109.843 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -21.09 30.99 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.626 -0.672 . . . . 0.0 110.437 179.45 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.94 -31.67 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.277 -0.889 . . . . 0.0 110.231 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.11 -51.68 67.04 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.401 -0.812 . . . . 0.0 110.3 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -43.9 94.16 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.615 -0.678 . . . . 0.0 109.936 179.55 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -35.32 78.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.396 -0.815 . . . . 0.0 109.737 179.005 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.5 tp -68.52 -32.5 72.5 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.506 -0.746 . . . . 0.0 109.92 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -47.92 84.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.544 -0.723 . . . . 0.0 109.862 179.212 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 p -74.75 -34.81 62.58 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.546 -0.721 . . . . 0.0 109.631 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -65.05 -43.4 92.44 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.508 -0.745 . . . . 0.0 109.97 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.7 mm -63.02 -33.96 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.509 -0.745 . . . . 0.0 109.915 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -64.12 -42.79 96.72 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.511 -0.743 . . . . 0.0 109.62 179.18 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.91 -37.79 93.62 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.191 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -30.96 61.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.463 -1.022 . . . . 0.0 110.089 179.277 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 -18.04 63.76 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.476 -0.765 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.5 2.072 0 O-C-N 121.194 -0.941 . . . . 0.0 110.166 179.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.553 ' HA2' HD12 ' A' ' 13' ' ' ILE . . . . . . . . 0 N--CA 1.493 2.499 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -57.07 -33.99 67.82 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.159 -1.201 . . . . 0.0 110.264 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -81.14 -41.96 21.64 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.322 -0.861 . . . . 0.0 109.501 179.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.553 HD12 ' HA2' ' A' ' 10' ' ' GLY . 16.5 mt -64.07 -39.02 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.645 -0.66 . . . . 0.0 109.689 179.361 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.91 94.78 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.575 -0.703 . . . . 0.0 110.301 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.61 -41.8 95.95 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.43 -0.794 . . . . 0.0 109.992 179.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -46.46 77.8 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.49 -0.756 . . . . 0.0 109.569 179.395 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.7 -37.78 88.63 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.543 -0.723 . . . . 0.0 109.794 179.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -58.56 -41.32 85.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.719 -0.613 . . . . 0.0 109.836 179.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t -62.52 -41.86 99.14 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.537 -0.727 . . . . 0.0 109.774 179.221 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -40.33 89.9 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.586 -0.696 . . . . 0.0 109.758 179.155 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.37 -36.35 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.548 -0.72 . . . . 0.0 109.635 179.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.88 85.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.771 -0.581 . . . . 0.0 109.961 179.24 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.32 -43.14 99.75 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.66 -28.37 68.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.602 -0.94 . . . . 0.0 109.887 178.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.32 -38.65 71.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.593 -0.692 . . . . 0.0 110.302 179.555 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.499 2.011 0 O-C-N 121.409 -0.807 . . . . 0.0 109.749 179.244 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.732 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -57.24 -47.41 81.45 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.542 -0.975 . . . . 0.0 110.088 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -68.68 -42.98 77.08 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.503 -0.748 . . . . 0.0 110.128 179.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.3 mt -63.03 -44.95 99.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.413 -0.804 . . . . 0.0 109.677 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.21 81.26 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.541 -0.724 . . . . 0.0 110.175 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.45 -46.52 86.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.386 -0.821 . . . . 0.0 109.814 179.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 tpt -68.82 -36.07 77.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.558 -0.714 . . . . 0.0 109.606 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.06 -19.39 61.84 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.633 -0.667 . . . . 0.0 110.549 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -56.24 -48.22 76.94 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.576 -0.703 . . . . 0.0 110.181 179.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -64.41 -39.44 93.85 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.57 -0.706 . . . . 0.0 110.099 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -60.51 -39.73 88.85 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.465 -0.772 . . . . 0.0 109.984 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 mt -68.51 -35.18 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.448 -0.783 . . . . 0.0 109.77 179.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.536 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 2.1 tp60 -65.66 -31.45 72.47 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.765 -0.584 . . . . 0.0 110.583 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.21 -48.57 67.86 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.67 -30.09 61.47 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.465 -1.02 . . . . 0.0 110.022 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 22' ' ' GLN . 16.3 mt -67.16 -27.0 66.93 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.495 -0.753 . . . . 0.0 110.611 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.502 2.152 0 O-C-N 121.39 -0.819 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.492 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -55.22 -41.92 72.69 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.213 -1.169 . . . . 0.0 110.647 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.3 -39.21 48.74 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.431 -0.793 . . . . 0.0 110.322 179.653 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -70.09 -35.26 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.426 -0.796 . . . . 0.0 110.197 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.6 82.53 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.528 -0.732 . . . . 0.0 110.422 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -41.37 96.72 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.561 -0.712 . . . . 0.0 109.657 179.326 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 ttm -72.67 -36.94 68.04 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.474 -0.766 . . . . 0.0 109.989 179.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -29.72 70.6 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.401 -0.812 . . . . 0.0 110.458 179.658 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -44.62 87.7 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.607 -0.683 . . . . 0.0 109.327 179.286 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -73.07 -34.27 66.14 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.655 -0.653 . . . . 0.0 109.319 178.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -61.51 -39.39 90.83 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.668 -0.645 . . . . 0.0 109.706 179.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.99 -34.88 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.528 -0.733 . . . . 0.0 109.922 179.298 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -62.39 -49.78 74.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.589 -0.694 . . . . 0.0 109.776 179.514 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.42 99.87 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.09 -44.79 87.8 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.631 -0.923 . . . . 0.0 110.084 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.95 -40.49 89.19 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 0.0 109.935 179.339 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.655 -0.653 . . . . 0.0 109.665 179.246 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.492 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 10.7 pt20 -56.28 -38.79 71.67 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.857 -1.378 . . . . 0.0 111.025 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 2.6 ttp-105 -84.86 -35.64 22.1 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.137 -0.977 . . . . 0.0 109.931 179.317 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.11 -36.13 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.467 -0.77 . . . . 0.0 110.275 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.93 83.54 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.438 -0.789 . . . . 0.0 110.544 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -43.28 90.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.457 -0.777 . . . . 0.0 110.143 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.7 ttp -68.0 -35.88 79.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.483 -0.761 . . . . 0.0 110.326 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 tp -75.72 -25.22 56.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.278 -0.888 . . . . 0.0 110.426 179.586 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -59.88 -49.64 76.89 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.507 -0.745 . . . . 0.0 110.261 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.2 p -64.67 -35.06 79.8 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.484 -0.76 . . . . 0.0 110.217 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -63.85 -47.92 78.82 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.508 -0.745 . . . . 0.0 110.155 179.586 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.28 -33.25 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.416 -0.803 . . . . 0.0 110.061 179.639 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -62.0 -48.95 78.01 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.493 -0.754 . . . . 0.0 109.755 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.25 93.16 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.149 -1.581 . . . . 0.0 109.149 178.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.41 -40.63 97.73 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.62 -0.93 . . . . 0.0 109.926 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -41.06 91.38 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.56 -0.713 . . . . 0.0 110.139 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.488 -0.757 . . . . 0.0 110.264 179.867 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.614 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.64 -40.66 88.38 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.324 -1.103 . . . . 0.0 109.871 179.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -79.94 -41.52 25.86 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.556 -0.715 . . . . 0.0 110.005 179.504 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.13 -38.09 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.494 -0.754 . . . . 0.0 110.224 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.2 -38.21 68.1 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.503 -0.748 . . . . 0.0 110.49 179.515 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.47 -41.26 66.25 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.443 -0.786 . . . . 0.0 110.042 179.353 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -45.64 78.3 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.343 -0.848 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -24.39 64.73 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.475 -0.766 . . . . 0.0 110.285 179.651 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -44.08 84.4 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.671 -0.643 . . . . 0.0 110.163 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -63.43 -39.3 94.11 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.559 -0.713 . . . . 0.0 110.033 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -40.48 94.87 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.453 -0.78 . . . . 0.0 109.946 179.527 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 mt -72.87 -32.44 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.478 -0.764 . . . . 0.0 110.267 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -60.68 -47.27 86.99 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.529 -0.732 . . . . 0.0 109.972 179.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.65 -42.99 98.55 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.09 -40.15 94.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.67 -0.9 . . . . 0.0 109.902 179.199 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.73 -39.41 93.59 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.563 -0.71 . . . . 0.0 110.132 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.497 1.91 0 O-C-N 121.507 -0.746 . . . . 0.0 110.158 179.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.51 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -57.38 -40.09 77.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.523 -0.987 . . . . 0.0 110.224 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -46.14 73.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.526 -0.733 . . . . 0.0 110.132 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.6 mt -71.66 -36.54 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.37 -0.831 . . . . 0.0 110.309 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.58 -48.36 74.94 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -0.796 . . . . 0.0 110.603 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.7 -43.38 80.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.43 -0.794 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 43.9 mmm -61.38 -36.27 79.8 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.53 -0.731 . . . . 0.0 110.158 179.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.28 -33.26 65.13 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.524 -0.735 . . . . 0.0 110.499 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -43.82 98.3 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.571 -0.706 . . . . 0.0 110.43 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -72.26 -35.16 68.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.332 -0.855 . . . . 0.0 110.101 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -62.25 -47.13 85.72 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.494 -0.754 . . . . 0.0 110.114 179.415 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.98 -33.75 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.434 -0.791 . . . . 0.0 110.108 179.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -40.81 87.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.672 -0.643 . . . . 0.0 109.972 179.348 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.84 -41.55 97.45 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -50.75 71.5 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.597 -0.943 . . . . 0.0 110.027 179.523 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.28 -41.85 99.04 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.579 -0.701 . . . . 0.0 109.951 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 O-C-N 121.446 -0.784 . . . . 0.0 110.023 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.608 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -43.84 98.07 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.462 -1.023 . . . . 0.0 109.702 179.422 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -47.44 77.68 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.47 -0.769 . . . . 0.0 109.594 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.41 -42.39 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.625 -0.672 . . . . 0.0 109.635 179.246 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.66 91.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.493 -0.754 . . . . 0.0 110.527 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.53 -41.64 94.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.428 -0.795 . . . . 0.0 110.437 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.33 -32.94 74.85 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.419 -0.801 . . . . 0.0 110.084 179.404 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' HA ' HD13 ' A' ' 17' ' ' LEU . 1.7 mm? -76.61 -25.41 53.85 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.384 -0.822 . . . . 0.0 110.7 179.834 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -45.72 89.66 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.476 -0.765 . . . . 0.0 110.243 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -67.25 -32.55 73.64 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.529 -0.732 . . . . 0.0 110.041 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -64.53 -40.07 94.92 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.36 -0.838 . . . . 0.0 110.108 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mp -74.93 -26.37 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.468 -0.77 . . . . 0.0 109.913 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.87 -46.98 78.12 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.558 -0.714 . . . . 0.0 110.431 179.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.72 95.61 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.29 -41.07 86.04 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.474 -1.015 . . . . 0.0 109.827 179.273 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -30.18 70.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.761 -0.587 . . . . 0.0 110.657 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.961 0 O-C-N 121.331 -0.855 . . . . 0.0 110.39 179.811 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.543 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -58.39 -36.36 73.42 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.578 -0.954 . . . . 0.0 110.484 179.525 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -63.88 -44.65 92.4 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.394 -0.816 . . . . 0.0 110.218 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.8 mt -80.32 -44.01 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.452 -0.78 . . . . 0.0 110.315 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 18' ' ' LYS . . . -60.81 -46.19 91.5 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.325 -0.859 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.08 -47.04 69.35 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.374 -0.829 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 ttm -63.73 -34.9 78.92 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.38 -0.825 . . . . 0.0 110.468 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tp -81.02 -31.09 34.76 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.326 -0.859 . . . . 0.0 110.116 179.485 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 20.3 tptt -55.6 -45.43 77.47 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.588 -0.695 . . . . 0.0 110.629 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.0 p -61.86 -38.14 87.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.384 -0.822 . . . . 0.0 110.359 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -68.66 -40.88 79.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.434 -0.791 . . . . 0.0 110.338 179.68 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.6 mm -66.31 -30.95 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.35 -0.844 . . . . 0.0 110.185 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -50.35 73.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.531 -0.73 . . . . 0.0 109.953 179.624 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.59 -38.88 86.72 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 179.396 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.48 -42.15 98.58 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.549 -0.971 . . . . 0.0 110.338 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tp -66.6 -38.28 86.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.523 -0.736 . . . . 0.0 110.38 179.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.942 0 O-C-N 121.45 -0.781 . . . . 0.0 110.184 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.581 0 N-CA-C 109.944 -1.263 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -59.71 -38.16 80.87 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.436 -1.037 . . . . 0.0 110.676 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -54.39 -42.25 70.18 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.504 -0.748 . . . . 0.0 110.286 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -88.3 -38.27 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.463 -0.773 . . . . 0.0 109.791 179.476 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 11' ' ' GLN . . . -61.8 -43.72 98.29 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.515 -0.741 . . . . 0.0 111.09 -179.848 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 2.8 tt0 -55.03 -45.54 75.19 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.288 -0.882 . . . . 0.0 110.573 -179.803 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -42.12 95.27 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.413 -0.804 . . . . 0.0 110.069 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.13 -39.38 78.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.483 -0.761 . . . . 0.0 110.403 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.553 ' HA ' HG22 ' A' ' 21' ' ' ILE . 5.0 tmtt? -64.37 -36.21 83.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.626 -0.671 . . . . 0.0 110.456 179.755 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 t -64.96 -37.44 87.64 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.196 -0.94 . . . . 0.0 109.662 179.4 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -79.17 -40.47 30.79 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.69 -0.631 . . . . 0.0 110.312 179.643 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 18' ' ' LYS . 1.3 tp -67.38 -31.5 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.379 -0.825 . . . . 0.0 110.953 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -65.56 -48.02 73.83 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.34 -0.85 . . . . 0.0 109.789 179.627 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.73 -41.31 93.82 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 179.379 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.31 -40.24 93.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.461 -1.023 . . . . 0.0 110.137 179.601 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.56 -41.07 98.69 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.458 -0.776 . . . . 0.0 110.245 179.655 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 . . . . . 0 N--CA 1.498 1.969 0 O-C-N 121.377 -0.827 . . . . 0.0 109.455 179.339 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . . . . . . 0 N--CA 1.495 2.624 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -40.75 73.97 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.497 -1.002 . . . . 0.0 109.541 178.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -44.14 96.86 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.576 -0.702 . . . . 0.0 110.254 179.543 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mp -79.68 -31.92 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.431 -0.793 . . . . 0.0 110.254 179.693 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -52.07 -54.44 30.2 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.354 -0.841 . . . . 0.0 110.454 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -66.57 -32.64 74.11 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.466 -0.771 . . . . 0.0 110.259 179.484 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -27.96 69.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.354 -0.841 . . . . 0.0 109.792 178.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mp -80.12 -24.9 40.18 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.469 -0.769 . . . . 0.0 110.14 179.34 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -62.04 -44.53 96.49 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.486 -0.759 . . . . 0.0 110.063 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 p -67.57 -35.78 79.66 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.476 -0.765 . . . . 0.0 109.88 179.413 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.13 -41.74 93.29 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.548 -0.72 . . . . 0.0 109.848 179.349 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 mm -68.68 -32.4 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.623 -0.673 . . . . 0.0 109.591 179.268 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -46.59 89.28 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.672 -0.642 . . . . 0.0 109.626 179.12 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.45 -40.86 98.08 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.034 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.53 -42.3 98.43 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.626 -0.926 . . . . 0.0 109.699 179.157 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.94 -36.89 84.91 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.596 -0.69 . . . . 0.0 110.12 179.403 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.937 0 O-C-N 121.448 -0.782 . . . . 0.0 110.016 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.476 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.33 -41.45 84.6 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.444 -1.033 . . . . 0.0 110.02 179.564 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -44.55 66.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.495 -0.753 . . . . 0.0 109.968 179.479 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.02 -39.81 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.565 -0.709 . . . . 0.0 109.742 179.427 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.29 95.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.562 -0.711 . . . . 0.0 110.154 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -70.11 -33.73 72.22 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.42 -0.8 . . . . 0.0 110.198 179.603 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -35.07 68.78 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.38 -0.825 . . . . 0.0 109.702 179.125 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.98 -26.49 23.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.577 -0.702 . . . . 0.0 110.274 179.087 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -51.79 64.26 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.596 -0.69 . . . . 0.0 110.389 179.853 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -64.98 -34.93 79.61 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.423 -0.798 . . . . 0.0 110.264 179.664 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -63.34 -40.21 96.69 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.483 -0.761 . . . . 0.0 110.141 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 mt -65.91 -39.9 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.507 -0.746 . . . . 0.0 109.605 179.467 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -71.08 -40.48 71.54 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.747 -0.596 . . . . 0.0 109.614 179.238 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.52 -44.84 96.42 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 179.272 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.17 -44.69 88.1 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.475 -1.015 . . . . 0.0 109.775 179.266 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.13 -42.7 88.75 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.608 -0.683 . . . . 0.0 109.475 178.913 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.733 -0.604 . . . . 0.0 110.091 179.558 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.763 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -43.82 94.79 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.56 -0.965 . . . . 0.0 109.357 179.167 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -43.27 97.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.694 -0.629 . . . . 0.0 109.377 178.782 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.45 -41.52 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.639 -0.663 . . . . 0.0 109.505 179.228 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.19 -39.28 66.48 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.597 -0.689 . . . . 0.0 110.234 179.444 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -69.69 -42.07 74.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.383 -0.823 . . . . 0.0 109.69 179.226 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.2 ttt -64.04 -30.6 71.66 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.527 -0.733 . . . . 0.0 110.243 179.306 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.635 HD23 HD11 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -56.52 -32.29 64.94 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.645 -0.66 . . . . 0.0 110.312 179.514 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 21' ' ' ILE . 10.3 tttt -57.19 -40.62 77.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.662 -0.649 . . . . 0.0 109.836 179.15 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -62.16 -40.89 97.52 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.542 -0.724 . . . . 0.0 110.013 179.327 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -62.29 -41.5 98.54 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.498 -0.751 . . . . 0.0 109.951 179.467 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.635 HD11 HD23 ' A' ' 17' ' ' LEU . 43.4 mt -62.43 -37.31 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.573 -0.705 . . . . 0.0 109.624 179.325 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -65.38 -39.37 92.16 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.659 -0.65 . . . . 0.0 109.7 179.148 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.62 99.8 Favored Glycine 0 N--CA 1.496 2.691 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 179.124 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.38 -37.49 85.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.602 -0.94 . . . . 0.0 109.519 178.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.19 -40.19 93.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.687 -0.633 . . . . 0.0 109.874 179.203 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 O-C-N 121.629 -0.67 . . . . 0.0 110.037 179.524 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.423 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -62.74 -53.58 52.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.476 -1.014 . . . . 0.0 109.862 179.562 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 13' ' ' ILE . 8.4 ptp180 -68.64 -30.83 69.63 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.393 -0.817 . . . . 0.0 110.398 179.593 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.458 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 46.0 mt -70.84 -42.63 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.17 -0.957 . . . . 0.0 109.332 179.032 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.76 79.1 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 0.0 110.388 179.426 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.46 -42.85 92.96 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.396 -0.815 . . . . 0.0 110.173 179.738 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -34.44 67.95 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.5 -0.75 . . . . 0.0 110.16 179.458 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.03 -27.42 66.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.502 -0.749 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HA ' HD12 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -54.37 -49.68 69.27 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.511 -0.743 . . . . 0.0 110.562 -179.948 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -61.26 -36.86 81.17 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.438 -0.789 . . . . 0.0 110.171 179.684 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -38.2 85.28 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.54 -0.725 . . . . 0.0 110.254 179.534 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 18' ' ' LYS . 25.1 mt -64.95 -38.94 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.528 -0.733 . . . . 0.0 110.087 179.75 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -65.17 -45.7 83.81 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.68 -0.637 . . . . 0.0 109.971 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.12 -42.84 97.9 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.94 -38.29 90.54 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.645 -0.915 . . . . 0.0 109.682 179.068 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -62.11 -38.8 90.26 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.545 -0.722 . . . . 0.0 109.983 179.3 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.463 -0.773 . . . . 0.0 109.674 179.367 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.376 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -45.41 74.71 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.582 -0.952 . . . . 0.0 110.293 179.804 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -59.82 -36.4 76.73 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.612 -0.68 . . . . 0.0 110.335 179.718 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.44 -42.63 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.465 -0.772 . . . . 0.0 110.035 179.827 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.96 95.99 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.603 -0.686 . . . . 0.0 111.158 -179.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.14 -52.05 67.37 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.408 -0.807 . . . . 0.0 110.399 -179.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.4 ttm -67.63 -36.08 80.13 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.479 -0.763 . . . . 0.0 110.312 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 21' ' ' ILE . 21.8 tp -69.56 -33.96 73.5 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.404 -0.81 . . . . 0.0 110.665 179.849 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -51.42 -49.65 61.21 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.596 -0.69 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.9 t -61.86 -38.45 88.32 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.592 -0.693 . . . . 0.0 109.995 179.417 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -66.46 -42.03 88.16 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.602 -0.686 . . . . 0.0 110.13 179.495 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 17' ' ' LEU . 46.3 mm -66.55 -33.52 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.552 -0.717 . . . . 0.0 110.05 179.569 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -58.65 -49.23 78.3 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.541 -0.724 . . . . 0.0 109.492 179.323 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.56 -44.47 63.86 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.088 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -44.4 87.79 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.528 -0.984 . . . . 0.0 110.17 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.96 -44.47 94.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.623 -0.673 . . . . 0.0 109.979 179.424 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 N--CA 1.496 1.848 0 O-C-N 121.452 -0.78 . . . . 0.0 109.874 179.476 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.84 0 CA-C-O 121.157 0.503 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.446 ' HB3' HD23 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -140.4 106.5 5.21 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.306 -0.871 . . . . 0.0 110.378 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -108.49 -49.7 3.13 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.454 -0.779 . . . . 0.0 110.459 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.27 -49.13 8.43 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.462 -0.774 . . . . 0.0 110.427 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.47 78.94 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.452 -0.78 . . . . 0.0 110.72 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 2' ' ' SER . 0.2 OUTLIER -64.59 -42.53 95.53 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.257 -0.902 . . . . 0.0 110.192 179.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.438 ' HA ' HD13 ' A' ' 7' ' ' ILE . 22.9 mm -66.56 -37.33 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.433 -0.792 . . . . 0.0 110.44 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -43.84 93.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.272 -0.892 . . . . 0.0 110.058 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -40.08 95.18 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.525 -0.734 . . . . 0.0 110.21 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.79 -40.16 97.15 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.166 -1.574 . . . . 0.0 109.166 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -60.5 -44.07 96.35 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.573 -0.957 . . . . 0.0 109.775 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -66.85 -43.66 83.06 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.545 -0.722 . . . . 0.0 109.963 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.0 mt -67.55 -42.9 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.434 -0.791 . . . . 0.0 109.875 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.74 89.34 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.569 -0.707 . . . . 0.0 110.697 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -46.75 87.75 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.325 -0.859 . . . . 0.0 110.11 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -41.83 73.67 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.476 -0.765 . . . . 0.0 110.056 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.06 -32.24 73.73 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.454 -0.779 . . . . 0.0 110.437 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -49.21 78.48 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.432 -0.792 . . . . 0.0 109.799 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 m -67.84 -33.43 74.75 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.608 -0.683 . . . . 0.0 110.137 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -62.31 -41.75 98.8 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.391 -0.818 . . . . 0.0 110.241 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.09 -33.44 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.522 -0.736 . . . . 0.0 109.943 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.35 -45.88 89.12 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.467 -0.77 . . . . 0.0 109.721 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.33 -38.98 96.58 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.38 -40.16 95.27 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.492 -1.005 . . . . 0.0 110.191 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.29 -44.19 97.09 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.439 -0.788 . . . . 0.0 110.309 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -41.33 97.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.505 -0.747 . . . . 0.0 109.904 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.12 -39.43 89.89 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.487 -0.758 . . . . 0.0 110.026 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.55 -40.58 92.14 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.622 -0.673 . . . . 0.0 110.269 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.9 t -65.82 -39.06 90.5 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.622 -0.674 . . . . 0.0 109.992 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -36.67 83.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.443 -0.785 . . . . 0.0 110.139 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.85 -25.45 65.55 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.438 -0.789 . . . . 0.0 110.443 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.18 -37.79 13.13 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.365 -0.834 . . . . 0.0 110.526 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -89.73 -51.38 5.54 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.379 -0.825 . . . . 0.0 110.683 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 35' ' ' ILE . 5.3 m-20 53.64 28.32 7.82 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.724 -0.61 . . . . 0.0 111.286 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 34' ' ' ASP . 27.4 pt 34.44 42.82 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.523 0 CA-C-O 121.15 0.5 . . . . 0.0 111.777 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -134.16 88.95 29.69 Favored Pre-proline 0 N--CA 1.495 1.783 0 O-C-N 121.286 -0.883 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -72.46 138.22 29.4 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 O-C-N 123.808 1.425 . . . . 0.0 110.637 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.01 -48.51 4.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.513 -0.742 . . . . 0.0 110.581 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 40' ' ' GLN . 12.4 ptm -75.71 -23.28 56.09 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.405 -0.809 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 39' ' ' MET . 24.6 mt-30 . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.262 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.103 0.478 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t -96.66 156.72 16.22 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.418 -0.801 . . . . 0.0 110.256 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 4' ' ' ALA . 11.4 ptt85 -61.6 -31.68 71.75 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.585 -0.697 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 3' ' ' ARG . . . -74.15 -41.68 61.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.239 -0.913 . . . . 0.0 110.137 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.82 84.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.561 -0.712 . . . . 0.0 110.57 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tp -62.83 -42.38 99.71 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.445 -0.784 . . . . 0.0 110.4 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.1 mt -70.46 -39.36 76.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.378 -0.826 . . . . 0.0 110.085 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -59.77 -43.59 94.29 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.524 -0.735 . . . . 0.0 110.663 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.58 -53.39 56.95 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.515 -0.74 . . . . 0.0 110.457 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -38.47 96.25 Favored Glycine 0 N--CA 1.495 2.617 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -60.53 -46.64 89.4 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.245 -1.15 . . . . 0.0 110.427 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' MET . 0.0 OUTLIER -60.88 -34.64 74.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.453 -0.78 . . . . 0.0 111.048 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mm -89.41 -33.27 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.362 -0.836 . . . . 0.0 110.721 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.35 -62.26 1.73 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.428 -0.795 . . . . 0.0 111.265 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -67.79 -34.91 77.7 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.348 -0.845 . . . . 0.0 110.768 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -60.56 -47.65 85.24 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.333 -0.854 . . . . 0.0 110.272 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.414 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -81.0 -20.38 41.91 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.457 -0.777 . . . . 0.0 110.93 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' O ' HG22 ' A' ' 21' ' ' ILE . 33.2 tttt -62.87 -46.9 85.71 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.307 -0.871 . . . . 0.0 109.947 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.5 m -71.21 -36.7 71.97 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.373 -0.83 . . . . 0.0 109.503 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -67.71 -42.09 82.5 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.65 -0.656 . . . . 0.0 110.479 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 18' ' ' LYS . 2.7 tp -61.9 -29.75 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.241 -0.912 . . . . 0.0 110.199 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -39.58 63.08 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.461 -0.775 . . . . 0.0 109.684 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.2 -39.64 36.3 Favored Glycine 0 N--CA 1.493 2.453 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 24' ' ' LEU . 2.4 mm? -60.03 -43.22 95.46 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.501 -0.999 . . . . 0.0 110.351 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.38 -44.0 97.92 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.511 -0.743 . . . . 0.0 110.255 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -73.5 -33.29 64.73 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.516 -0.74 . . . . 0.0 110.365 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -66.9 -41.81 86.54 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.438 -0.789 . . . . 0.0 110.394 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.91 96.29 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.685 -0.635 . . . . 0.0 110.256 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.1 t -71.61 -35.58 70.53 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.729 -0.607 . . . . 0.0 110.537 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -38.53 82.02 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.261 -0.9 . . . . 0.0 111.214 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -63.71 -39.45 94.33 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.908 -1.12 . . . . 0.0 111.343 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.49 -34.68 13.99 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.399 -0.813 . . . . 0.0 112.163 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.1 -3.12 26.33 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.098 -1.001 . . . . 0.0 112.227 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -146.03 76.07 1.44 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.813 -1.18 . . . . 0.0 110.554 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' ' 35' ' ' ILE . 2.5 mp -81.95 52.29 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.358 -0.839 . . . . 0.0 109.34 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -91.07 152.27 44.01 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.349 -0.845 . . . . 0.0 110.398 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.38 167.23 26.89 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 O-C-N 123.886 1.466 . . . . 0.0 110.428 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -106.84 -42.68 4.87 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.473 -0.767 . . . . 0.0 110.633 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 19.0 ttp -88.18 -49.93 6.69 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.355 -0.841 . . . . 0.0 110.413 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.243 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 120.982 0.42 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 m -96.63 158.07 15.61 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.437 -0.789 . . . . 0.0 110.33 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.6 ttt85 -61.21 -49.86 75.43 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.47 -0.769 . . . . 0.0 109.837 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.12 -45.91 83.07 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.625 -0.672 . . . . 0.0 109.855 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.97 85.42 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.61 -0.681 . . . . 0.0 110.133 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.94 -38.81 87.14 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.51 -0.744 . . . . 0.0 110.087 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 33.7 mt -72.49 -35.64 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.535 -0.728 . . . . 0.0 109.904 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -58.5 -46.55 86.49 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.603 -0.686 . . . . 0.0 110.188 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -79.2 -28.27 42.61 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.395 -0.816 . . . . 0.0 110.036 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.42 -17.47 64.27 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.531 -1.027 . . . . 0.0 110.531 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -55.2 -45.81 75.87 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.193 -1.181 . . . . 0.0 110.534 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 12.7 tpt85 -86.07 -25.71 25.72 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.295 -0.878 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.8 mm -81.49 -23.7 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.144 -0.972 . . . . 0.0 110.489 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.74 84.53 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.404 -0.81 . . . . 0.0 111.091 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 11.1 pt-20 -58.27 -34.76 70.85 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.212 -0.93 . . . . 0.0 110.429 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.4 mtp -79.09 -43.29 24.43 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.368 -0.832 . . . . 0.0 109.864 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' LEU . 1.1 mm? -68.5 -24.33 64.66 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.459 -0.776 . . . . 0.0 110.72 179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.18 -48.74 80.46 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.477 -0.764 . . . . 0.0 110.098 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 m -60.84 -36.93 80.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.473 -0.767 . . . . 0.0 110.222 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.83 -54.78 19.01 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.56 -0.712 . . . . 0.0 110.169 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.69 -34.28 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.517 -0.739 . . . . 0.0 110.255 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.87 -42.39 66.91 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.494 -0.754 . . . . 0.0 109.899 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.53 -39.86 93.7 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.17 -44.41 95.52 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.481 -1.011 . . . . 0.0 109.87 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.427 ' HA ' HD13 ' A' ' 25' ' ' LEU . 3.6 mm? -73.45 -36.71 65.94 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.512 -0.743 . . . . 0.0 110.423 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -59.94 -37.97 81.07 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.536 -0.727 . . . . 0.0 110.634 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -33.99 73.42 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.362 -0.836 . . . . 0.0 110.376 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.39 -24.41 29.66 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.52 -0.738 . . . . 0.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.6 p -85.75 -20.34 29.42 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.328 -0.857 . . . . 0.0 111.51 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -55.31 -37.93 68.02 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.238 -0.914 . . . . 0.0 110.922 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -50.04 68.53 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.283 -0.886 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.24 -23.96 28.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.37 -0.831 . . . . 0.0 110.608 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -54.55 -39.91 68.17 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 110.999 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.562 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -120.98 -52.22 2.1 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.321 -0.862 . . . . 0.0 110.401 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 34' ' ' ASP . 1.0 OUTLIER 39.6 37.91 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-O 121.369 0.604 . . . . 0.0 111.884 179.748 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -146.11 165.45 20.5 Favored Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.196 -0.94 . . . . 0.0 110.215 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.67 116.7 4.81 Favored 'Trans proline' 0 C--N 1.313 -1.322 0 O-C-N 123.827 1.435 . . . . 0.0 110.282 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.39 19.79 16.04 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.545 -0.722 . . . . 0.0 110.832 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.3 mtp -76.04 -32.85 59.55 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.241 -0.912 . . . . 0.0 110.329 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.12 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 121.044 0.449 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -133.8 143.74 48.57 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.484 -0.76 . . . . 0.0 110.33 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -105.97 -51.07 3.04 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.429 -0.795 . . . . 0.0 110.419 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -56.58 -46.35 80.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.543 -0.723 . . . . 0.0 110.48 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.13 -37.97 84.7 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.518 -0.739 . . . . 0.0 110.388 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 tt -58.86 -45.54 89.88 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.491 -0.755 . . . . 0.0 110.019 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 4' ' ' ALA . 13.6 mt -64.76 -40.85 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.558 -0.714 . . . . 0.0 109.508 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.29 -35.75 79.98 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.606 -0.684 . . . . 0.0 110.143 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -63.28 -49.56 73.54 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.507 -0.746 . . . . 0.0 110.181 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.31 -41.24 96.78 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -57.99 -39.63 78.72 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.415 -1.05 . . . . 0.0 109.673 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.8 ttt-85 -74.1 -39.75 63.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.61 -0.681 . . . . 0.0 109.741 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 mm -64.11 -42.15 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.609 -0.682 . . . . 0.0 109.748 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.98 71.08 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.545 -0.722 . . . . 0.0 110.181 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -41.22 28.3 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.538 -0.726 . . . . 0.0 110.094 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.5 tpt -59.48 -35.91 75.01 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.394 -0.816 . . . . 0.0 110.602 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 tp -68.66 -35.29 77.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.258 -0.901 . . . . 0.0 110.308 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -43.79 67.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.486 -0.759 . . . . 0.0 110.474 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.4 p -66.95 -25.91 66.58 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.334 -0.854 . . . . 0.0 110.687 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -45.57 31.78 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.246 -0.909 . . . . 0.0 110.116 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 37.4 mm -70.78 -34.42 56.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.467 -0.771 . . . . 0.0 110.462 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.98 -41.98 15.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.378 -0.826 . . . . 0.0 110.257 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.83 -44.52 97.75 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.21 -50.27 74.67 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.632 -0.922 . . . . 0.0 110.001 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.18 -42.81 99.24 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.56 -0.712 . . . . 0.0 109.706 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -62.33 -42.36 99.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.637 -0.664 . . . . 0.0 109.836 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -70.53 -30.98 67.87 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.548 -0.72 . . . . 0.0 110.571 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.81 -3.4 53.85 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.524 -0.735 . . . . 0.0 111.067 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.5 t -86.48 -63.7 1.27 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.201 -0.937 . . . . 0.0 109.925 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.61 -40.32 88.77 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.382 -0.824 . . . . 0.0 110.232 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -39.0 84.38 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.253 -0.904 . . . . 0.0 110.459 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.02 -20.21 42.23 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.268 -0.895 . . . . 0.0 110.81 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -90.28 -52.02 5.14 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.206 -0.934 . . . . 0.0 110.16 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.58 -43.41 55.77 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.48 -0.762 . . . . 0.0 109.875 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.5 mm -114.15 56.48 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.521 -0.737 . . . . 0.0 109.377 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -56.8 140.95 75.3 Favored Pre-proline 0 N--CA 1.5 2.048 0 O-C-N 121.438 -0.789 . . . . 0.0 110.806 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.42 95.08 0.77 Allowed 'Trans proline' 0 C--N 1.316 -1.174 0 O-C-N 123.999 1.526 . . . . 0.0 110.619 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.09 -35.38 12.59 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.458 -0.776 . . . . 0.0 110.551 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.7 ttp -95.91 -48.48 5.7 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.41 -0.806 . . . . 0.0 110.107 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 . . . . . 0 N--CA 1.498 1.942 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.649 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 120.997 0.427 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -146.89 129.64 16.14 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.415 -0.803 . . . . 0.0 110.389 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.2 mtt85 -63.09 -48.03 80.34 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.638 -0.663 . . . . 0.0 110.331 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.56 93.94 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.474 -0.766 . . . . 0.0 110.28 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.91 79.92 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.496 -0.752 . . . . 0.0 110.251 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -40.0 95.42 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.48 -0.763 . . . . 0.0 109.902 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.6 mm -70.63 -37.86 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.517 -0.739 . . . . 0.0 109.676 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.53 -44.5 96.0 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.563 -0.711 . . . . 0.0 110.362 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.1 -49.06 79.14 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.506 -0.746 . . . . 0.0 110.098 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.08 -43.15 82.45 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -56.59 -46.0 81.09 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.417 -1.049 . . . . 0.0 110.093 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -64.62 -47.05 79.99 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.406 -0.809 . . . . 0.0 110.177 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.0 mt -64.66 -40.8 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 121.396 -0.815 . . . . 0.0 109.925 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.04 98.26 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.531 -0.731 . . . . 0.0 110.645 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.65 -43.74 92.67 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.383 -0.823 . . . . 0.0 110.173 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.4 ttm -60.87 -37.12 81.04 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.562 -0.711 . . . . 0.0 110.19 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 tp -69.32 -41.27 76.91 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.496 -0.753 . . . . 0.0 110.358 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HA ' HD12 ' A' ' 21' ' ' ILE . 7.7 mttt -57.27 -48.59 78.48 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.603 -0.685 . . . . 0.0 110.187 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -37.39 87.2 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.451 -0.781 . . . . 0.0 110.197 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -63.67 -38.14 89.99 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.422 -0.799 . . . . 0.0 110.373 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 18' ' ' LYS . 35.6 mt -66.29 -37.18 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.476 -0.765 . . . . 0.0 109.967 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -68.79 -41.77 78.27 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.53 -0.731 . . . . 0.0 110.169 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.9 -37.16 94.25 Favored Glycine 0 N--CA 1.494 2.559 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.28 -43.15 87.22 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.45 -1.029 . . . . 0.0 110.217 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -39.15 83.86 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.394 -0.816 . . . . 0.0 110.007 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -42.56 60.0 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.554 -0.716 . . . . 0.0 110.386 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -73.72 -36.51 65.22 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.471 -0.768 . . . . 0.0 111.079 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.33 96.8 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.46 -0.775 . . . . 0.0 110.418 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.9 t -67.03 -39.77 87.06 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.585 -0.697 . . . . 0.0 110.147 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' CG ' ' HA ' ' A' ' 37' ' ' PRO . 4.2 mmpt? -71.78 -46.72 57.4 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.442 -0.786 . . . . 0.0 109.813 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.74 -33.48 76.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.526 -0.734 . . . . 0.0 109.838 179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.56 -35.79 80.59 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.377 -0.827 . . . . 0.0 109.975 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.15 -52.35 14.52 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.556 -0.715 . . . . 0.0 109.621 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.458 ' O ' HG23 ' A' ' 35' ' ' ILE . 6.0 m-20 -139.47 -101.73 0.16 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.551 -0.718 . . . . 0.0 109.451 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 34' ' ' ASP . 6.2 pt -153.44 10.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.091 -1.006 . . . . 0.0 111.816 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -146.9 163.32 29.39 Favored Pre-proline 0 N--CA 1.499 2.005 0 O-C-N 120.822 -1.174 . . . . 0.0 110.96 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.409 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 48.3 Cg_endo -83.95 -91.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.228 0 O-C-N 123.923 1.486 . . . . 0.0 110.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.02 20.49 15.65 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.001 -1.062 . . . . 0.0 111.131 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.7 mmm -90.66 -42.62 10.64 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.132 -0.98 . . . . 0.0 110.471 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.462 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.85 0 CA-C-O 121.031 0.443 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 m -128.11 108.78 10.92 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.494 -0.753 . . . . 0.0 110.042 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.95 -15.85 14.6 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.423 -0.798 . . . . 0.0 111.367 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.84 75.34 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.243 -0.91 . . . . 0.0 110.635 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.22 -38.49 80.06 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.524 -0.735 . . . . 0.0 110.457 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.37 -40.49 97.41 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.631 -0.668 . . . . 0.0 110.211 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.0 mm -71.28 -40.36 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.481 -0.762 . . . . 0.0 109.964 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -57.56 -45.46 85.13 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.697 -0.627 . . . . 0.0 110.334 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -47.0 87.47 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.596 -0.69 . . . . 0.0 110.048 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.18 -34.41 69.76 Favored Glycine 0 N--CA 1.496 2.635 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -58.01 -44.91 87.54 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.428 -1.042 . . . . 0.0 110.163 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -63.61 -45.69 89.17 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.556 -0.715 . . . . 0.0 110.031 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mt -68.11 -41.64 84.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.474 -0.767 . . . . 0.0 109.907 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.96 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.653 -0.654 . . . . 0.0 110.79 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.27 -45.61 46.69 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.395 -0.816 . . . . 0.0 110.072 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -44.07 97.91 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.599 -0.688 . . . . 0.0 110.019 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -36.36 84.12 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.47 -0.769 . . . . 0.0 110.093 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -45.1 94.12 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.786 -0.571 . . . . 0.0 110.096 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -69.08 -36.86 78.08 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.549 -0.72 . . . . 0.0 110.387 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.2 mmmt -64.44 -43.44 94.31 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.445 -0.785 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.586 ' HA ' HD21 ' A' ' 24' ' ' LEU . 20.9 mm -62.83 -34.37 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.604 -0.685 . . . . 0.0 110.263 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -75.7 -32.17 59.99 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.484 -0.76 . . . . 0.0 110.308 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.3 -53.79 37.0 Favored Glycine 0 N--CA 1.495 2.603 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.586 HD21 ' HA ' ' A' ' 21' ' ' ILE . 3.6 pp -63.62 -28.28 69.81 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.394 -1.062 . . . . 0.0 110.817 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.3 -43.31 98.21 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.354 -0.841 . . . . 0.0 110.302 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.45 -42.37 14.55 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.427 -0.796 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -59.11 -42.12 89.8 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.496 -0.753 . . . . 0.0 111.156 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.15 82.42 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.504 -0.748 . . . . 0.0 111.023 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -36.4 19.66 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.436 -0.79 . . . . 0.0 110.675 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' HD3' ' HB2' ' A' ' 34' ' ' ASP . 2.2 mmpt? -67.78 -26.41 66.09 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.132 -0.98 . . . . 0.0 110.726 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -44.66 -45.39 9.66 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.288 -0.882 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.62 -25.39 16.8 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.46 -0.775 . . . . 0.0 111.414 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.33 33.64 4.2 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.022 -1.049 . . . . 0.0 112.245 -178.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.506 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 33.8 t70 -124.49 -97.56 0.43 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.849 -1.157 . . . . 0.0 109.925 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.557 ' O ' HG23 ' A' ' 35' ' ' ILE . 2.8 tt -166.86 75.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.912 -1.118 . . . . 0.0 110.042 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.58 126.1 61.08 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.233 -0.917 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -72.75 -9.82 24.27 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 O-C-N 123.985 1.518 . . . . 0.0 111.513 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.92 -30.79 68.09 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.164 -0.96 . . . . 0.0 110.756 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 45.7 mtt -82.51 -45.13 15.08 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.323 -0.861 . . . . 0.0 110.323 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.701 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.004 0.43 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 t -75.68 142.66 42.46 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.477 -0.764 . . . . 0.0 110.451 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.433 ' HA ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -83.47 -40.11 19.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.348 -0.845 . . . . 0.0 110.019 179.747 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.768 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -60.24 -34.64 73.97 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.522 -0.736 . . . . 0.0 109.936 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.35 -36.1 60.98 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.627 -0.67 . . . . 0.0 110.721 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 3' ' ' ARG . 9.0 mt -61.57 -38.43 87.46 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.405 -0.809 . . . . 0.0 110.084 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 4' ' ' ALA . 4.6 mt -70.09 -49.61 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.456 -0.778 . . . . 0.0 110.005 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.94 -50.94 68.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.529 -0.732 . . . . 0.0 110.457 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -67.29 -37.66 83.77 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.351 -0.843 . . . . 0.0 110.068 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.99 -36.14 79.57 Favored Glycine 0 N--CA 1.495 2.58 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -54.43 -44.46 72.47 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.483 -1.01 . . . . 0.0 110.091 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.9 mtp85 -77.31 -36.86 53.71 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.567 -0.708 . . . . 0.0 110.014 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -62.83 -44.33 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.368 -0.833 . . . . 0.0 109.342 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.64 98.67 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.681 -0.637 . . . . 0.0 110.197 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -60.21 -41.67 93.54 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.573 -0.705 . . . . 0.0 110.097 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.0 mtt -62.73 -43.03 99.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.547 -0.721 . . . . 0.0 110.141 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -38.04 89.63 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.537 -0.727 . . . . 0.0 110.227 179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -39.73 95.36 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.671 -0.643 . . . . 0.0 110.026 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 t -66.12 -40.32 90.6 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.408 -0.807 . . . . 0.0 109.606 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -64.27 -41.25 97.0 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.6 -0.688 . . . . 0.0 110.296 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -32.48 57.97 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.462 -0.774 . . . . 0.0 110.077 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -40.21 91.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.471 -0.768 . . . . 0.0 109.702 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.66 -39.03 93.66 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.225 -1.55 . . . . 0.0 109.225 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.6 mt -63.32 -38.91 93.01 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.401 -1.058 . . . . 0.0 110.101 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.11 -36.58 84.06 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.608 -0.683 . . . . 0.0 110.203 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -78.12 -21.42 50.41 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.513 -0.742 . . . . 0.0 110.367 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -62.95 -22.06 66.52 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.362 -0.836 . . . . 0.0 111.012 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.94 -41.77 68.13 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.495 -0.753 . . . . 0.0 110.116 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.2 p -92.78 -28.91 16.28 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.629 -0.67 . . . . 0.0 109.771 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HB3' ' HA ' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -65.73 -42.48 90.96 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.469 -0.769 . . . . 0.0 110.677 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -54.03 -28.34 37.81 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.509 -0.744 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.38 -35.12 70.96 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.255 -0.903 . . . . 0.0 110.04 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -109.21 31.26 5.87 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 110.705 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.96 -57.4 3.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.158 -0.964 . . . . 0.0 110.628 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 35' ' ' ILE . 41.7 mt -103.34 50.31 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.213 -0.93 . . . . 0.0 109.532 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -121.69 74.04 33.83 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.314 -0.866 . . . . 0.0 110.253 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -74.93 -11.77 21.62 Favored 'Trans proline' 0 C--N 1.314 -1.259 0 O-C-N 123.784 1.413 . . . . 0.0 111.385 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.53 19.19 6.44 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.19 -0.944 . . . . 0.0 111.406 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.2 tpt -90.21 -49.0 6.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.046 -1.034 . . . . 0.0 110.224 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.249 179.746 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 120.995 0.426 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.16 157.69 43.84 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.444 -0.785 . . . . 0.0 110.545 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 mtm105 -96.28 -41.88 8.44 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.516 -0.74 . . . . 0.0 110.311 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -85.67 -20.38 29.5 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.389 -0.819 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.75 82.95 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.213 -0.93 . . . . 0.0 110.996 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.85 -28.86 58.5 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.236 -0.915 . . . . 0.0 110.897 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 4' ' ' ALA . 82.2 mt -68.91 -48.69 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.135 -0.978 . . . . 0.0 109.198 179.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -73.15 -31.78 64.48 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.55 -0.719 . . . . 0.0 109.892 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.91 -43.1 59.8 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.481 -0.762 . . . . 0.0 110.188 179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.96 -40.26 99.07 Favored Glycine 0 N--CA 1.496 2.665 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.97 -43.34 81.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.75 -0.853 . . . . 0.0 109.549 178.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -64.13 -45.52 88.19 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.638 -0.664 . . . . 0.0 109.638 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.0 mm -64.19 -41.77 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.555 -0.716 . . . . 0.0 109.525 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.27 89.83 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.684 -0.635 . . . . 0.0 110.154 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.52 -47.45 83.87 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.448 -0.783 . . . . 0.0 109.87 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.9 ttt -64.51 -39.81 94.47 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.493 -0.754 . . . . 0.0 110.054 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.87 -40.94 90.34 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.647 -0.658 . . . . 0.0 109.843 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -38.18 90.13 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.688 -0.633 . . . . 0.0 110.0 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 t -64.79 -38.38 90.78 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.404 -0.81 . . . . 0.0 109.769 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -65.48 -38.79 90.82 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.526 -0.734 . . . . 0.0 109.982 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.3 mm -68.27 -35.19 70.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.518 -0.739 . . . . 0.0 109.729 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -42.43 99.77 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.63 -0.669 . . . . 0.0 109.738 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.47 -38.58 95.95 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 108.864 -1.695 . . . . 0.0 108.864 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.98 -38.08 89.73 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.533 -0.981 . . . . 0.0 109.88 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.77 -37.78 85.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.51 -0.744 . . . . 0.0 109.968 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -62.75 -46.32 88.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.542 -0.724 . . . . 0.0 109.955 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -32.77 74.22 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.457 -0.777 . . . . 0.0 110.072 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' A' ' 31' ' ' GLN . . . -61.56 -27.46 68.64 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.674 -0.641 . . . . 0.0 110.503 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.4 m -59.87 -52.57 64.86 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.438 -0.789 . . . . 0.0 109.63 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -70.48 -37.31 74.21 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.616 -0.678 . . . . 0.0 109.765 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.43 ' HB2' ' HA ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -63.46 -37.8 88.69 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.419 -0.801 . . . . 0.0 109.992 179.416 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.09 -31.76 72.97 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.53 -0.731 . . . . 0.0 109.973 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -93.3 5.07 52.82 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.478 -0.764 . . . . 0.0 110.861 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.44 83.93 1.05 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.221 -0.925 . . . . 0.0 109.93 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.473 ' O ' HG22 ' A' ' 35' ' ' ILE . 2.2 mt -91.18 30.4 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.437 -0.79 . . . . 0.0 110.251 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -146.68 153.77 47.22 Favored Pre-proline 0 N--CA 1.496 1.859 0 O-C-N 121.2 -0.938 . . . . 0.0 109.878 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -72.13 -80.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.835 1.439 . . . . 0.0 111.343 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.85 20.58 17.4 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.99 -1.069 . . . . 0.0 111.274 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -79.23 -27.18 42.43 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.111 -0.993 . . . . 0.0 110.72 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.261 -0.899 . . . . 0.0 110.179 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 121.131 0.491 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -79.9 142.81 34.81 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.32 -0.862 . . . . 0.0 110.245 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -49.09 3.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.492 -0.755 . . . . 0.0 110.388 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.563 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -57.31 -48.42 78.99 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.542 -0.724 . . . . 0.0 110.621 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -45.11 87.06 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.584 -0.698 . . . . 0.0 110.36 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.36 -40.82 71.74 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.665 -0.647 . . . . 0.0 110.346 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 4' ' ' ALA . 37.5 mt -65.58 -43.61 94.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.436 -0.79 . . . . 0.0 109.852 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.69 -41.77 99.29 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.577 -0.702 . . . . 0.0 110.047 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -63.82 -39.74 94.96 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.49 -0.756 . . . . 0.0 110.137 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.18 -41.81 99.71 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -58.7 -40.2 82.96 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.591 -0.947 . . . . 0.0 109.794 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -65.47 -46.59 79.18 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.532 -0.73 . . . . 0.0 109.704 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 17' ' ' LEU . 44.3 mm -69.09 -37.57 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.384 -0.822 . . . . 0.0 109.642 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -39.82 74.12 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.555 -0.715 . . . . 0.0 110.435 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -46.91 61.58 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.349 -0.844 . . . . 0.0 109.7 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -38.45 81.72 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.391 -0.818 . . . . 0.0 109.717 179.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.475 HD12 HG22 ' A' ' 13' ' ' ILE . 8.7 mt -69.82 -30.3 67.78 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.526 -0.734 . . . . 0.0 110.277 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 -43.76 85.02 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.614 -0.678 . . . . 0.0 110.123 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 t -63.23 -41.02 99.04 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.424 -0.797 . . . . 0.0 109.789 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -66.1 -43.86 86.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.633 -0.667 . . . . 0.0 110.226 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.7 mt -66.43 -32.13 56.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.505 -0.747 . . . . 0.0 110.108 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.44 -46.71 87.97 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.534 -0.729 . . . . 0.0 109.875 179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.33 -36.53 91.79 Favored Glycine 0 N--CA 1.495 2.586 0 N-CA-C 109.201 -1.56 . . . . 0.0 109.201 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.17 -41.63 94.45 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.493 -1.004 . . . . 0.0 109.84 179.231 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HA ' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -61.95 -37.34 84.36 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.414 -0.803 . . . . 0.0 109.862 179.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -35.99 82.21 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.54 -0.725 . . . . 0.0 109.971 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -77.5 -31.45 53.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.294 -0.878 . . . . 0.0 109.866 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -29.08 69.23 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.707 -0.621 . . . . 0.0 110.52 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.3 p -64.51 -33.81 76.77 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.464 -0.772 . . . . 0.0 110.37 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -44.02 86.16 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.392 -0.817 . . . . 0.0 110.057 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -29.81 67.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.615 -0.678 . . . . 0.0 110.489 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.97 -30.45 66.72 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.249 -0.907 . . . . 0.0 110.739 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -80.19 -20.56 44.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.38 -0.825 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.9 t70 57.79 56.03 5.07 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.535 -0.728 . . . . 0.0 110.735 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 35' ' ' ILE . 41.2 mm -119.37 27.04 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.416 -0.803 . . . . 0.0 110.064 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -132.71 84.77 49.22 Favored Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 121.125 -0.984 . . . . 0.0 109.93 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -75.55 73.61 4.57 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 O-C-N 123.839 1.442 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -110.89 -13.48 14.12 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.316 -0.865 . . . . 0.0 111.015 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 45.1 mtm -100.79 20.5 15.17 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.098 -1.001 . . . . 0.0 110.977 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.77 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.024 0.44 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.38 131.86 56.8 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.475 -0.766 . . . . 0.0 110.109 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -81.87 0.47 39.48 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.493 -0.755 . . . . 0.0 111.524 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.2 -25.46 63.43 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.064 -1.022 . . . . 0.0 110.856 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.47 -27.62 62.65 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.345 -0.847 . . . . 0.0 111.193 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mp -52.47 -48.86 65.62 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 121.31 -0.868 . . . . 0.0 110.33 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.44 -34.45 57.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.487 -0.758 . . . . 0.0 109.41 179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.606 ' HA ' ' HB2' ' A' ' 12' ' ' ARG . 0.6 OUTLIER -62.51 -32.66 73.63 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.643 -0.661 . . . . 0.0 110.405 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.492 ' O ' HD12 ' A' ' 13' ' ' ILE . 21.5 tt0 -67.4 -19.83 65.45 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.45 -0.781 . . . . 0.0 111.205 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.73 -55.8 0.29 Allowed Glycine 0 N--CA 1.495 2.628 0 C-N-CA 119.937 -1.125 . . . . 0.0 110.357 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.58 -54.79 22.96 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.4 -1.059 . . . . 0.0 111.017 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.606 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 1.2 mmt85 -65.13 -29.24 70.08 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.091 -1.005 . . . . 0.0 110.939 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 9' ' ' GLU . 4.6 mt -81.97 -41.01 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.189 -0.945 . . . . 0.0 110.064 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.64 -51.24 57.34 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.437 -0.79 . . . . 0.0 110.082 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.25 -44.97 93.68 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.545 -0.722 . . . . 0.0 109.614 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.5 tpp -59.83 -37.47 79.3 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.586 -0.697 . . . . 0.0 109.741 178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -43.84 98.28 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.65 -0.656 . . . . 0.0 109.991 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.34 -45.14 94.5 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.756 -0.59 . . . . 0.0 109.658 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.81 -36.51 83.4 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.602 -0.686 . . . . 0.0 109.732 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -37.85 88.36 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.478 -0.763 . . . . 0.0 110.083 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.3 mm -65.82 -37.54 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 121.461 -0.774 . . . . 0.0 109.699 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -64.65 -43.42 93.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.592 -0.692 . . . . 0.0 109.556 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.67 -39.47 97.56 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.127 -1.589 . . . . 0.0 109.127 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.01 -40.71 85.77 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.588 -0.948 . . . . 0.0 109.954 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -61.25 -43.46 98.84 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.543 -0.723 . . . . 0.0 109.402 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.83 -39.03 80.22 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.609 -0.682 . . . . 0.0 109.692 179.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -62.67 -33.51 75.22 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.606 -0.684 . . . . 0.0 110.506 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.44 -27.34 65.17 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.598 -0.689 . . . . 0.0 110.685 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -43.12 93.6 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.524 -0.735 . . . . 0.0 110.1 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -59.68 -37.65 79.37 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -64.67 -40.32 95.2 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.359 -0.838 . . . . 0.0 109.804 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.89 -27.66 61.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.572 -0.705 . . . . 0.0 110.182 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' HG2' ' HG3' ' A' ' 36' ' ' GLN . 33.1 mt-30 -97.11 30.7 2.66 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.573 -0.704 . . . . 0.0 110.756 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.3 -43.86 97.84 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.245 -0.909 . . . . 0.0 110.321 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.9 pt -107.62 40.24 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.481 -0.762 . . . . 0.0 110.122 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HG3' ' HG2' ' A' ' 33' ' ' GLN . 1.5 mm-40 -92.61 131.18 34.67 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.318 -0.864 . . . . 0.0 110.421 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -72.61 172.72 14.59 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 O-C-N 123.846 1.445 . . . . 0.0 110.641 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.46 19.46 20.54 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.533 -0.729 . . . . 0.0 110.77 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -87.5 -39.33 15.27 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.176 -0.952 . . . . 0.0 110.544 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.072 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.886 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.02 0.438 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -156.62 173.43 16.94 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.518 -0.739 . . . . 0.0 110.248 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -58.82 -26.5 64.2 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.485 -0.76 . . . . 0.0 110.483 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.698 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -62.69 -35.83 80.97 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.364 -0.835 . . . . 0.0 109.979 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.5 97.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.46 -0.775 . . . . 0.0 109.907 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' HA ' ' HG2' ' A' ' 9' ' ' GLU . 0.6 OUTLIER -64.85 -33.69 76.61 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.479 -0.763 . . . . 0.0 110.073 179.336 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 4' ' ' ALA . 67.8 mt -70.56 -34.57 57.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.254 -0.904 . . . . 0.0 109.986 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.21 -46.69 66.78 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.352 -0.843 . . . . 0.0 110.959 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' A' ' 10' ' ' GLY . 0.8 OUTLIER -63.29 -30.68 71.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.048 -1.033 . . . . 0.0 110.645 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.53 ' N ' ' HG3' ' A' ' 9' ' ' GLU . . . -72.37 -38.41 58.35 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.07 -1.612 . . . . 0.0 109.07 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -47.55 80.47 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.763 -0.845 . . . . 0.0 109.572 179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -41.95 93.36 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.65 -0.656 . . . . 0.0 109.958 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 mm -64.97 -42.43 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.323 -0.861 . . . . 0.0 109.139 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.16 85.47 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.66 -0.65 . . . . 0.0 110.045 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -62.66 -51.07 68.71 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.544 -0.722 . . . . 0.0 109.606 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -34.95 79.37 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.62 -0.675 . . . . 0.0 110.207 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 tp -68.58 -31.88 71.38 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.388 -0.82 . . . . 0.0 110.341 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -59.07 -48.26 82.24 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.516 -0.74 . . . . 0.0 110.085 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -71.87 -34.12 68.94 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.433 -0.792 . . . . 0.0 109.506 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -48.22 76.25 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.553 -0.717 . . . . 0.0 110.186 179.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' HA ' HD13 ' A' ' 21' ' ' ILE . 23.8 mm -62.72 -33.8 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.386 -0.822 . . . . 0.0 110.155 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.48 -43.6 84.96 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.408 -0.807 . . . . 0.0 109.862 179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.57 -40.54 59.12 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.81 -47.48 84.92 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.591 -0.946 . . . . 0.0 110.12 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.5 mt -61.24 -39.56 90.77 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.452 -0.78 . . . . 0.0 110.06 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -63.02 -44.08 96.94 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.544 -0.722 . . . . 0.0 109.784 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -37.38 87.35 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.527 -0.733 . . . . 0.0 110.231 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.15 87.41 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.678 -0.639 . . . . 0.0 109.634 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -65.5 -41.46 93.17 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -69.58 -35.86 75.75 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.544 -0.723 . . . . 0.0 109.747 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.698 ' HG2' HD13 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -68.54 -36.09 78.34 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.624 -0.672 . . . . 0.0 109.998 179.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.2 -4.79 46.48 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.264 -0.897 . . . . 0.0 110.787 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -69.83 -50.77 39.56 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.226 -0.921 . . . . 0.0 111.02 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.407 ' O ' HG13 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -154.03 -68.04 0.14 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.147 -0.97 . . . . 0.0 111.582 -179.277 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.698 HD13 ' HG2' ' A' ' 31' ' ' GLN . 11.5 pt 37.2 47.26 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.583 0 CA-C-O 121.342 0.592 . . . . 0.0 111.599 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 36' ' ' GLN . 7.2 pt20 -95.27 119.86 64.9 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 121.143 -0.973 . . . . 0.0 110.598 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -77.63 64.14 8.05 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 O-C-N 123.781 1.411 . . . . 0.0 110.657 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.32 -46.68 4.52 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.315 -0.865 . . . . 0.0 110.092 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 40' ' ' GLN . 2.0 ttp -87.18 -28.63 22.3 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.528 -0.732 . . . . 0.0 110.487 179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 39' ' ' MET . 12.9 pt20 . . . . . 0 N--CA 1.508 2.467 0 CA-C-O 117.85 -1.071 . . . . 0.0 111.979 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.789 0 CA-C-O 121.49 0.662 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 p -80.4 158.92 25.85 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.332 -0.855 . . . . 0.0 110.39 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -79.18 -35.51 41.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.493 -0.754 . . . . 0.0 110.349 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.849 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -62.8 -26.74 68.88 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.592 -0.692 . . . . 0.0 110.771 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.86 77.21 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.474 -0.766 . . . . 0.0 110.598 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.59 -39.0 86.48 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.554 -0.716 . . . . 0.0 110.22 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.849 HD12 ' HA ' ' A' ' 4' ' ' ALA . 17.9 mt -63.62 -39.81 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.443 -0.786 . . . . 0.0 109.849 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.0 -45.3 89.59 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.437 -0.789 . . . . 0.0 110.064 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.27 -42.87 82.42 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.583 -0.698 . . . . 0.0 110.284 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.04 -42.74 98.06 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -60.55 -39.27 87.35 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.554 -0.968 . . . . 0.0 109.776 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -41.95 98.49 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.6 -0.688 . . . . 0.0 109.732 179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.02 -41.61 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.559 -0.713 . . . . 0.0 109.443 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.01 -41.93 84.17 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.645 -0.659 . . . . 0.0 110.419 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -62.66 -46.13 89.61 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.344 -0.847 . . . . 0.0 110.108 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.8 tpp -60.77 -37.08 80.64 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.487 -0.758 . . . . 0.0 109.818 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.29 -37.42 85.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.491 -0.756 . . . . 0.0 110.172 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -42.96 99.35 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.747 -0.595 . . . . 0.0 109.89 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -69.67 -35.83 75.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.617 -0.677 . . . . 0.0 110.0 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -61.57 -41.7 97.77 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.448 -0.783 . . . . 0.0 109.605 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 24' ' ' LEU . 25.5 mm -67.35 -36.1 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.655 -0.653 . . . . 0.0 109.765 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -64.05 -43.86 94.22 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.62 -0.675 . . . . 0.0 109.79 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.7 -40.22 98.48 Favored Glycine 0 N--CA 1.496 2.662 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 21' ' ' ILE . 32.0 mt -61.9 -45.11 95.14 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.436 -1.037 . . . . 0.0 109.828 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.96 -39.0 87.88 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.58 -0.7 . . . . 0.0 110.2 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -66.67 -35.09 79.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.529 -0.732 . . . . 0.0 110.268 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -32.83 73.9 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.274 -0.891 . . . . 0.0 110.047 179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.97 -12.75 58.2 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.629 -0.669 . . . . 0.0 111.065 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.6 p -70.35 -32.64 70.42 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.167 -0.958 . . . . 0.0 110.733 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -50.32 69.94 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.369 -0.832 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -37.51 73.74 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.354 -0.841 . . . . 0.0 110.861 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.03 -29.23 49.28 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.416 -0.803 . . . . 0.0 111.09 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.27 -49.21 8.37 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.11 -0.994 . . . . 0.0 110.454 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.23 -24.34 62.18 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.522 -0.736 . . . . 0.0 110.666 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.6 mm 55.7 73.79 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.608 0.718 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -87.56 153.58 53.12 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.386 -0.821 . . . . 0.0 110.327 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -73.22 178.79 6.14 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 O-C-N 123.987 1.519 . . . . 0.0 110.744 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.58 19.49 7.31 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.441 -0.787 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.3 mmm -95.57 -53.57 3.69 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.166 -0.959 . . . . 0.0 110.071 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.156 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.047 0.451 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p -141.01 106.32 5.03 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.407 -0.808 . . . . 0.0 110.316 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -65.22 -43.03 92.8 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.639 -0.663 . . . . 0.0 110.733 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.502 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -56.14 -41.85 76.0 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.578 -0.701 . . . . 0.0 110.495 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.77 -42.12 98.59 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.446 -0.784 . . . . 0.0 110.26 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.0 -39.9 90.69 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.395 -0.815 . . . . 0.0 110.108 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 4' ' ' ALA . 31.4 mt -62.02 -42.46 94.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 121.454 -0.779 . . . . 0.0 110.094 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.71 -42.49 99.68 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.44 -0.788 . . . . 0.0 109.884 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.44 -46.82 87.66 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.614 -0.678 . . . . 0.0 109.953 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.05 -40.31 72.8 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -57.01 -40.38 76.54 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.475 -1.015 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -62.16 -51.88 66.09 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.359 -0.838 . . . . 0.0 109.923 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 53.9 mt -66.3 -41.14 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.609 -0.682 . . . . 0.0 109.825 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -45.47 94.65 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.456 -0.777 . . . . 0.0 110.411 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.24 -39.99 84.51 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.465 -0.772 . . . . 0.0 110.366 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.1 mtt -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.474 -0.766 . . . . 0.0 109.823 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 17' ' ' LEU . 2.5 mm? -78.26 -32.03 49.4 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.445 -0.784 . . . . 0.0 110.396 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HA ' HD12 ' A' ' 21' ' ' ILE . 22.6 mttm -53.58 -49.63 67.31 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.708 -0.62 . . . . 0.0 110.49 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -61.09 -38.65 87.04 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.457 -0.777 . . . . 0.0 110.185 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -64.97 -36.73 85.35 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.526 -0.734 . . . . 0.0 110.274 179.638 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 18' ' ' LYS . 22.9 mt -68.95 -32.47 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.472 -0.768 . . . . 0.0 109.707 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -68.21 -44.31 76.07 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.526 -0.734 . . . . 0.0 110.283 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.65 -42.58 99.67 Favored Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 tp -67.11 -43.91 81.26 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.583 -0.951 . . . . 0.0 110.154 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -67.56 -34.62 77.43 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.56 -0.713 . . . . 0.0 110.561 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -57.74 -43.5 85.41 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.366 -0.834 . . . . 0.0 109.871 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -69.61 -32.73 71.61 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.575 -0.703 . . . . 0.0 110.047 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.54 -10.54 58.23 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.654 -0.654 . . . . 0.0 110.724 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -84.97 -46.45 11.21 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.381 -0.824 . . . . 0.0 110.23 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -58.83 -45.21 90.56 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.379 -0.826 . . . . 0.0 110.452 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -28.13 69.2 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.372 -0.83 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.66 -23.25 39.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.272 -0.892 . . . . 0.0 110.7 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -51.15 65.14 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.365 -0.835 . . . . 0.0 110.741 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 35' ' ' ILE . 7.7 p-10 -107.72 -41.71 4.94 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.393 -0.817 . . . . 0.0 110.551 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.559 ' O ' HG23 ' A' ' 35' ' ' ILE . 0.4 OUTLIER 57.81 13.84 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.222 0 O-C-N 121.665 -0.647 . . . . 0.0 111.773 179.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -147.19 129.65 7.74 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 120.758 -1.214 . . . . 0.0 110.791 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -73.03 -24.81 16.88 Favored 'Trans proline' 0 C--N 1.314 -1.246 0 O-C-N 123.84 1.442 . . . . 0.0 110.831 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.25 21.1 18.04 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.337 -0.852 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.2 ttp -70.72 -45.73 64.36 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.251 -0.906 . . . . 0.0 110.668 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 . . . . . 0 N--CA 1.504 2.238 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.943 -179.916 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 121.072 0.463 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 p -104.49 113.72 27.48 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.481 -0.762 . . . . 0.0 110.505 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -108.89 -62.61 1.45 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.451 -0.781 . . . . 0.0 109.913 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.765 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -61.24 -44.75 96.74 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.491 -0.755 . . . . 0.0 110.106 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.32 -35.46 80.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.454 -0.779 . . . . 0.0 110.132 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 tp -62.61 -35.25 78.96 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.448 -0.782 . . . . 0.0 110.315 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 4' ' ' ALA . 59.9 mt -59.56 -46.59 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.36 -0.837 . . . . 0.0 109.548 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -70.31 -31.79 69.26 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.605 -0.685 . . . . 0.0 110.267 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.4 -47.88 78.08 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.391 -0.818 . . . . 0.0 110.075 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.49 -36.58 68.85 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -42.31 98.86 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.411 -1.052 . . . . 0.0 110.156 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -39.89 95.43 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.422 -0.799 . . . . 0.0 109.957 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 46.5 mm -77.13 -41.69 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.407 -0.808 . . . . 0.0 109.906 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.49 -47.5 72.97 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.551 -0.718 . . . . 0.0 110.564 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -48.41 79.41 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.396 -0.815 . . . . 0.0 109.943 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.2 mmm -61.44 -37.87 85.1 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.456 -0.777 . . . . 0.0 109.798 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.48 -40.12 90.12 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.613 -0.679 . . . . 0.0 110.134 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.57 -43.01 81.65 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.71 -0.619 . . . . 0.0 109.932 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 m -57.34 -35.28 69.7 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.576 -0.702 . . . . 0.0 110.236 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -73.47 -46.03 50.64 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.518 -0.739 . . . . 0.0 110.042 179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 21' ' ' ILE . 25.1 mm -64.75 -37.09 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.496 -0.753 . . . . 0.0 110.138 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -79.02 -38.84 35.56 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.631 -0.668 . . . . 0.0 109.914 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.55 99.55 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.155 -1.578 . . . . 0.0 109.155 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.93 -27.91 69.16 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.607 -0.937 . . . . 0.0 110.094 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.19 -34.4 49.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.478 -0.764 . . . . 0.0 110.202 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -57.42 -52.01 67.09 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.312 -0.868 . . . . 0.0 110.191 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -66.22 -27.98 68.39 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.384 -0.822 . . . . 0.0 110.447 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.85 -29.09 67.34 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.618 -0.676 . . . . 0.0 110.38 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 t -61.5 -45.3 94.82 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.599 -0.688 . . . . 0.0 110.182 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' A' ' 30' ' ' LYS . 44.1 mtmt -69.98 -36.47 75.22 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.428 -0.795 . . . . 0.0 109.991 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -68.78 -32.49 72.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.374 -0.829 . . . . 0.0 110.552 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.68 -48.44 9.46 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.243 -0.911 . . . . 0.0 111.097 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.92 -50.87 4.92 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.108 -0.995 . . . . 0.0 111.02 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t70 56.65 32.17 20.55 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.645 -0.659 . . . . 0.0 110.782 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 35' ' ' ILE . 5.9 tt -158.58 36.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.207 -0.933 . . . . 0.0 110.805 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.435 ' HG3' ' HD2' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -145.66 150.62 44.05 Favored Pre-proline 0 N--CA 1.497 1.898 0 O-C-N 121.017 -1.052 . . . . 0.0 110.368 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.435 ' HD2' ' HG3' ' A' ' 36' ' ' GLN . 48.9 Cg_endo -74.91 95.83 0.99 Allowed 'Trans proline' 0 C--N 1.315 -1.2 0 O-C-N 123.789 1.415 . . . . 0.0 110.425 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.65 20.43 17.12 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.449 -0.782 . . . . 0.0 111.077 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -46.94 71.52 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.094 -1.004 . . . . 0.0 110.524 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.204 179.811 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.08 0.467 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -140.19 132.47 28.26 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.522 -0.736 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.38 -58.06 2.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.495 -0.753 . . . . 0.0 109.877 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.94 -49.92 72.18 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.571 -0.706 . . . . 0.0 110.352 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.63 -38.74 92.26 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.537 -0.727 . . . . 0.0 110.47 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.46 -48.06 83.41 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.489 -0.757 . . . . 0.0 110.212 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -71.08 -39.06 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.386 -0.821 . . . . 0.0 110.071 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -47.67 82.27 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.497 -0.752 . . . . 0.0 110.353 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -64.77 -36.99 86.1 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.414 -0.804 . . . . 0.0 110.308 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.09 -43.79 96.73 Favored Glycine 0 N--CA 1.496 2.656 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -40.99 93.62 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.581 -0.952 . . . . 0.0 110.072 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -65.39 -40.09 93.03 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.506 -0.746 . . . . 0.0 110.142 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.8 mm -76.53 -40.15 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.45 -0.782 . . . . 0.0 109.742 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -41.71 71.55 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.48 -0.762 . . . . 0.0 110.226 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -71.81 -50.1 32.73 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.442 -0.786 . . . . 0.0 109.864 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -40.46 78.52 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.522 -0.736 . . . . 0.0 110.348 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.2 mm? -72.09 -37.88 69.49 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.435 -0.791 . . . . 0.0 110.089 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -50.52 72.0 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.65 -0.656 . . . . 0.0 110.274 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -59.23 -35.39 73.56 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.636 -0.665 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.03 -38.6 88.81 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.26 -0.9 . . . . 0.0 109.925 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 31.9 mt -68.64 -34.37 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.599 -0.688 . . . . 0.0 110.018 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -69.18 -43.08 74.95 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.576 -0.703 . . . . 0.0 110.095 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.29 -44.7 96.56 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.377 -1.489 . . . . 0.0 109.377 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -59.83 -38.07 81.01 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.588 -0.948 . . . . 0.0 110.398 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.98 -48.23 77.27 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.408 -0.807 . . . . 0.0 110.115 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -42.7 93.15 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.407 -0.808 . . . . 0.0 109.777 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.72 -37.43 87.56 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.57 -0.706 . . . . 0.0 110.18 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.25 -43.86 93.61 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.596 -0.69 . . . . 0.0 110.213 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -61.09 -41.85 97.41 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.643 -0.661 . . . . 0.0 110.1 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -65.32 -38.1 89.12 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.53 -0.731 . . . . 0.0 110.163 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.77 -35.79 82.2 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.538 -0.726 . . . . 0.0 110.447 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 35' ' ' ILE . . . -73.86 -34.7 64.6 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.442 -0.786 . . . . 0.0 110.653 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.33 -30.67 30.29 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.405 -0.809 . . . . 0.0 110.842 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.4 34.65 1.14 Allowed 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.296 -0.877 . . . . 0.0 111.242 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 32' ' ' ALA . 13.3 tt -131.5 36.36 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.115 -0.99 . . . . 0.0 110.434 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -130.0 141.26 41.24 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.081 -1.012 . . . . 0.0 110.073 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.3 -38.82 4.35 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 O-C-N 124.076 1.567 . . . . 0.0 111.046 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.1 61.65 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.239 -0.913 . . . . 0.0 110.831 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.9 mtp -100.64 -46.6 5.13 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.37 -0.831 . . . . 0.0 110.644 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 . . . . . 0 N--CA 1.496 1.844 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.699 -179.675 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.041 0.448 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.39 156.18 47.83 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.492 -0.755 . . . . 0.0 110.234 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -92.41 6.76 45.8 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.414 -0.803 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.45 -47.93 82.4 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.197 -0.94 . . . . 0.0 110.032 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.98 -32.76 74.21 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.63 -0.669 . . . . 0.0 110.016 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.499 ' HA ' HD13 ' A' ' 6' ' ' LEU . 2.4 mm? -60.66 -39.33 87.99 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.423 -0.798 . . . . 0.0 109.8 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.9 mt -73.81 -32.1 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.523 -0.736 . . . . 0.0 109.936 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -56.64 -50.89 70.71 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.494 -0.754 . . . . 0.0 110.489 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -87.05 -30.84 20.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.415 -0.803 . . . . 0.0 110.236 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.85 -29.4 67.51 Favored Glycine 0 N--CA 1.495 2.587 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -56.75 -30.59 63.72 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.145 -1.209 . . . . 0.0 110.672 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -68.54 -47.44 66.89 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.301 -0.874 . . . . 0.0 109.413 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.603 HG22 HD13 ' A' ' 17' ' ' LEU . 2.8 mp -74.92 -33.61 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.592 -0.692 . . . . 0.0 109.896 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.98 62.76 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.557 -0.714 . . . . 0.0 110.711 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.47 -42.89 99.8 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.314 -0.866 . . . . 0.0 110.117 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.7 ttp -63.12 -42.92 99.61 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.489 -0.757 . . . . 0.0 110.091 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.603 HD13 HG22 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.3 -30.35 63.33 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.407 -0.808 . . . . 0.0 110.403 179.532 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ttpp -60.03 -52.84 63.67 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.598 -0.688 . . . . 0.0 110.121 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.4 m -61.38 -40.15 93.26 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.47 -0.769 . . . . 0.0 110.012 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -44.11 90.67 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.59 -0.694 . . . . 0.0 110.129 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.9 mt -63.38 -30.42 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.568 -0.707 . . . . 0.0 110.327 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -50.03 75.29 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.411 -0.806 . . . . 0.0 109.717 179.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.45 -37.53 79.0 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.81 -41.86 97.8 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.478 -1.013 . . . . 0.0 109.759 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' HA ' ' HB3' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -64.96 -34.92 79.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.557 -0.715 . . . . 0.0 110.484 179.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -55.27 -45.04 76.13 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.37 -0.831 . . . . 0.0 109.958 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -84.04 -31.06 25.61 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.43 -0.794 . . . . 0.0 110.364 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . . . -67.04 -44.3 80.54 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.561 -0.712 . . . . 0.0 110.522 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -62.28 -42.28 99.21 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.574 -0.704 . . . . 0.0 110.065 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -43.07 99.57 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.607 -0.683 . . . . 0.0 109.88 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -70.02 -32.9 71.3 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.542 -0.724 . . . . 0.0 110.107 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.85 -26.29 49.27 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.389 -0.819 . . . . 0.0 110.561 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -78.44 3.61 15.37 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.395 -0.815 . . . . 0.0 111.509 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -66.45 -26.69 67.32 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.931 -1.106 . . . . 0.0 110.746 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' A' ' 34' ' ' ASP . 28.9 mt 61.08 81.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.646 -0.658 . . . . 0.0 110.384 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.33 122.31 61.6 Favored Pre-proline 0 N--CA 1.496 1.872 0 O-C-N 121.492 -0.755 . . . . 0.0 110.208 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -74.27 142.97 31.05 Favored 'Trans proline' 0 C--N 1.315 -1.222 0 O-C-N 123.833 1.438 . . . . 0.0 110.822 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -94.26 17.95 11.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.609 -0.682 . . . . 0.0 110.89 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -88.64 -29.27 20.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.192 -0.943 . . . . 0.0 110.583 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 N--CA 1.502 2.17 0 CA-C-O 118.06 -0.972 . . . . 0.0 110.762 -179.827 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.771 0 CA-C-O 121.099 0.476 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -78.22 152.81 32.42 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.44 -0.788 . . . . 0.0 110.343 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 ptm85 -103.34 -26.93 12.74 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.556 -0.715 . . . . 0.0 110.532 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.569 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -79.5 -41.07 28.22 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.236 -0.915 . . . . 0.0 110.375 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.27 96.96 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.455 -0.778 . . . . 0.0 110.386 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -55.87 -30.46 61.55 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.58 -0.7 . . . . 0.0 110.938 179.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.569 HD12 ' HA ' ' A' ' 4' ' ' ALA . 96.2 mt -60.77 -49.19 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.343 -0.848 . . . . 0.0 109.916 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.16 -39.29 89.69 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.503 -0.748 . . . . 0.0 110.191 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.7 -31.07 62.12 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.506 -0.746 . . . . 0.0 110.931 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.53 -39.94 3.54 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -56.25 -41.16 75.32 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.489 -1.006 . . . . 0.0 110.859 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -58.08 -51.12 71.01 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.312 -0.868 . . . . 0.0 110.244 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.23 -39.18 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.465 -0.772 . . . . 0.0 109.731 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.64 -49.88 73.69 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 0.0 110.263 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -44.16 78.51 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.401 -0.812 . . . . 0.0 109.974 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.0 mtt -60.96 -38.35 85.61 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 110.291 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tt -66.88 -35.09 79.23 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.424 -0.798 . . . . 0.0 110.359 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -44.71 69.75 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.44 -0.788 . . . . 0.0 110.234 179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -61.9 -39.45 92.02 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.445 -0.785 . . . . 0.0 110.301 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.76 -39.91 91.53 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.543 -0.723 . . . . 0.0 110.494 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.8 mt -67.58 -33.95 65.23 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.461 -0.775 . . . . 0.0 110.189 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -46.44 83.08 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.543 -0.723 . . . . 0.0 110.263 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.53 -38.44 95.73 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tt -63.06 -42.49 99.72 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.477 -1.014 . . . . 0.0 110.185 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -41.95 96.74 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.504 -0.748 . . . . 0.0 110.315 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -40.79 88.63 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.413 -0.805 . . . . 0.0 109.99 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -71.89 -30.26 65.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.469 -0.769 . . . . 0.0 110.353 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.44 84.43 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.377 -0.827 . . . . 0.0 109.868 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.1 m -74.01 -44.46 54.44 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.633 -0.667 . . . . 0.0 109.947 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -35.8 79.84 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.428 -0.795 . . . . 0.0 110.349 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -18.56 64.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.437 -0.789 . . . . 0.0 110.655 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.42 -8.08 57.92 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.009 -1.057 . . . . 0.0 110.865 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.51 10.1 29.39 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.186 -0.946 . . . . 0.0 111.702 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.18 25.28 4.55 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.847 -1.158 . . . . 0.0 110.988 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' O ' HG22 ' A' ' 35' ' ' ILE . 38.2 mm -97.59 46.01 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 120.993 -1.067 . . . . 0.0 109.926 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -129.48 98.92 21.76 Favored Pre-proline 0 N--CA 1.493 1.715 0 O-C-N 121.124 -0.985 . . . . 0.0 109.858 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -69.95 -18.27 36.23 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 O-C-N 123.965 1.508 . . . . 0.0 111.417 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.42 -34.11 77.03 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.262 -0.899 . . . . 0.0 110.381 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.3 mtp -80.5 -48.84 12.2 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.451 -0.781 . . . . 0.0 110.133 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.83 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.241 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 121.043 0.449 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -129.69 164.21 24.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.431 -0.793 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.81 -45.53 92.06 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.53 -0.731 . . . . 0.0 109.921 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.18 91.93 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.599 -0.688 . . . . 0.0 110.084 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.61 85.95 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.546 -0.721 . . . . 0.0 110.22 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.48 -40.0 74.18 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.592 -0.692 . . . . 0.0 110.092 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.5 mt -71.0 -36.63 64.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.541 -0.724 . . . . 0.0 109.738 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HA ' ' NE2' ' A' ' 11' ' ' GLN . 2.1 tt0 -61.29 -30.55 70.55 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.506 -0.746 . . . . 0.0 110.292 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -82.58 -42.85 17.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.399 -0.813 . . . . 0.0 110.362 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.07 -46.95 93.52 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.503 ' NE2' ' HA ' ' A' ' 8' ' ' GLU . 4.1 pt20 -57.17 -33.79 67.8 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.171 -1.193 . . . . 0.0 110.578 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mmm180 -71.92 -39.91 69.14 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.37 -0.831 . . . . 0.0 109.951 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.8 mt -74.53 -46.77 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.775 . . . . 0.0 109.703 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.41 92.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.575 -0.703 . . . . 0.0 110.213 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.55 -44.29 97.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.429 -0.794 . . . . 0.0 109.779 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.7 mtm -63.77 -38.48 91.25 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.445 -0.785 . . . . 0.0 109.592 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.55 -35.18 75.41 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.66 -0.65 . . . . 0.0 109.682 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -59.69 -41.39 90.61 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -36.44 82.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.699 -0.626 . . . . 0.0 109.893 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -42.33 99.65 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.481 -0.762 . . . . 0.0 109.631 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -66.9 -33.22 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.635 -0.666 . . . . 0.0 109.893 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -44.85 92.7 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.621 -0.674 . . . . 0.0 109.79 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.66 -39.48 97.96 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 109.196 -1.561 . . . . 0.0 109.196 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.2 -42.67 86.69 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.522 -0.987 . . . . 0.0 109.711 179.231 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -34.89 69.3 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.511 -0.743 . . . . 0.0 110.129 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -42.19 76.01 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.52 -0.737 . . . . 0.0 110.177 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -36.52 84.56 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.523 -0.735 . . . . 0.0 109.979 179.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.03 -31.49 72.06 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.716 -0.615 . . . . 0.0 109.885 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 t -62.68 -39.55 94.29 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.567 -0.708 . . . . 0.0 109.579 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.18 -45.5 69.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.592 -0.692 . . . . 0.0 109.545 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -35.69 66.86 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.56 -0.712 . . . . 0.0 110.329 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.62 -30.08 67.73 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.409 -0.807 . . . . 0.0 110.318 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -102.54 8.4 39.89 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.464 -0.773 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.08 11.98 23.69 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.131 -0.981 . . . . 0.0 110.675 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.567 ' O ' HG23 ' A' ' 35' ' ' ILE . 13.2 tt -154.2 60.79 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.303 -0.873 . . . . 0.0 110.079 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -123.23 161.38 45.48 Favored Pre-proline 0 N--CA 1.497 1.876 0 O-C-N 121.138 -0.976 . . . . 0.0 110.198 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.81 97.72 0.92 Allowed 'Trans proline' 0 C--N 1.314 -1.266 0 O-C-N 123.88 1.463 . . . . 0.0 110.549 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.22 -41.17 20.63 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.519 -0.738 . . . . 0.0 110.216 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ttp -95.06 -49.27 5.61 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.444 -0.785 . . . . 0.0 110.185 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.133 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 120.951 0.405 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -133.05 158.01 43.81 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.507 -0.745 . . . . 0.0 110.222 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -45.81 92.78 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.459 -0.776 . . . . 0.0 110.139 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.464 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -60.55 -41.88 95.42 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.438 -0.789 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.31 93.16 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.579 -0.7 . . . . 0.0 109.77 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.25 -39.17 85.84 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.538 -0.726 . . . . 0.0 110.226 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' A' ' 4' ' ' ALA . 29.9 mt -68.93 -38.1 78.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.483 -0.761 . . . . 0.0 110.069 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -60.49 -46.5 89.87 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.457 -0.777 . . . . 0.0 110.209 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.12 -45.47 66.82 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.391 -0.818 . . . . 0.0 110.033 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.54 -40.15 98.32 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -61.28 -41.14 96.44 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.483 -1.01 . . . . 0.0 109.687 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -41.47 75.47 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.515 -0.741 . . . . 0.0 109.388 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.15 -40.92 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.626 -0.671 . . . . 0.0 109.247 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.78 76.77 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.551 -0.718 . . . . 0.0 110.186 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.64 -47.18 82.38 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.39 -0.819 . . . . 0.0 109.526 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.5 tpp -72.88 -29.47 63.19 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.421 -0.799 . . . . 0.0 109.99 178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.2 tp -57.75 -41.15 81.35 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.599 -0.688 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -61.48 -43.91 98.02 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.586 -0.696 . . . . 0.0 109.322 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.1 m -63.61 -38.16 90.08 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.685 -0.634 . . . . 0.0 109.542 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -63.13 -41.26 99.28 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.719 -0.613 . . . . 0.0 109.868 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.5 -36.35 69.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.007 0 O-C-N 121.549 -0.72 . . . . 0.0 109.879 179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -69.91 -44.56 69.41 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.556 -0.715 . . . . 0.0 109.926 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.44 -43.48 98.69 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -41.1 92.85 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.605 -0.938 . . . . 0.0 110.013 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.57 -42.43 96.62 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.524 -0.735 . . . . 0.0 110.109 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -64.17 -39.73 94.62 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.446 -0.784 . . . . 0.0 109.846 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -40.28 95.48 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.518 -0.739 . . . . 0.0 110.135 179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.1 99.43 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.722 -0.611 . . . . 0.0 110.233 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -64.73 -39.25 93.33 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.61 -0.681 . . . . 0.0 109.85 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -62.83 -43.04 99.85 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.653 -0.654 . . . . 0.0 109.987 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -65.04 -34.44 78.43 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.484 -0.76 . . . . 0.0 110.076 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.41 -40.47 91.1 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.395 -0.815 . . . . 0.0 109.172 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -31.96 70.77 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.813 -0.555 . . . . 0.0 109.971 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.86 -28.15 68.64 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.46 -0.775 . . . . 0.0 110.453 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.45 ' O ' HG22 ' A' ' 35' ' ' ILE . 31.2 mm -98.17 21.92 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.334 -0.854 . . . . 0.0 110.223 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -118.73 85.88 28.62 Favored Pre-proline 0 N--CA 1.494 1.763 0 O-C-N 121.09 -1.006 . . . . 0.0 110.137 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.67 151.53 58.12 Favored 'Trans proline' 0 C--N 1.313 -1.291 0 O-C-N 123.777 1.409 . . . . 0.0 110.547 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.67 -45.79 5.65 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.549 -0.719 . . . . 0.0 110.289 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.42 -25.95 46.2 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.483 -0.761 . . . . 0.0 110.655 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.232 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.107 0.48 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -134.16 155.57 49.88 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.34 -0.85 . . . . 0.0 110.448 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -56.75 -49.52 74.99 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.623 -0.673 . . . . 0.0 110.036 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -62.9 -42.92 99.95 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.555 -0.715 . . . . 0.0 110.059 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -41.54 87.85 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.538 -0.726 . . . . 0.0 110.319 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' ' 6' ' ' LEU . 1.7 mm? -57.77 -32.35 67.42 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.522 -0.736 . . . . 0.0 110.128 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 4' ' ' ALA . 25.1 mt -82.75 -35.52 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.383 -0.823 . . . . 0.0 109.809 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -58.82 -51.06 71.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.524 -0.735 . . . . 0.0 111.117 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.99 -26.45 60.17 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.422 -0.799 . . . . 0.0 111.068 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.7 -47.77 2.88 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.921 -1.272 . . . . 0.0 109.921 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -55.57 -38.67 69.65 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.495 -1.003 . . . . 0.0 111.135 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -45.4 93.49 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.377 -0.827 . . . . 0.0 110.489 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -82.74 -35.94 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.337 -0.852 . . . . 0.0 109.908 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.89 74.44 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.404 -0.81 . . . . 0.0 110.218 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -62.09 -44.99 95.46 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.57 -0.706 . . . . 0.0 110.262 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.5 mtm -66.84 -41.97 86.55 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.546 -0.721 . . . . 0.0 110.408 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.06 -26.97 61.48 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.458 -0.777 . . . . 0.0 110.615 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -58.58 -51.73 68.64 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.616 -0.677 . . . . 0.0 110.349 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -62.64 -33.47 75.1 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 110.439 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -47.56 72.09 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.366 -0.834 . . . . 0.0 110.343 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.8 mt -65.35 -33.83 66.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.459 -0.776 . . . . 0.0 110.345 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -45.12 91.39 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.499 -0.751 . . . . 0.0 109.863 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.65 -38.54 93.31 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.3 -42.2 90.81 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.588 -0.948 . . . . 0.0 110.235 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.47 -39.22 88.67 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.54 -0.725 . . . . 0.0 109.986 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -32.54 72.64 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.438 -0.789 . . . . 0.0 109.98 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -84.04 -37.55 21.99 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.378 -0.826 . . . . 0.0 109.998 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.85 -32.62 73.26 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.708 -0.62 . . . . 0.0 110.735 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.5 p -59.74 -34.16 72.59 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.545 -0.722 . . . . 0.0 110.186 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -69.0 -35.52 76.77 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.482 -0.761 . . . . 0.0 109.96 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.61 -28.63 69.76 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.126 -0.984 . . . . 0.0 110.179 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.61 -44.06 8.38 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.469 -0.769 . . . . 0.0 111.603 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.07 15.64 25.03 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.104 -0.998 . . . . 0.0 112.036 -178.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.03 46.33 0.6 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.986 -1.072 . . . . 0.0 110.356 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -21.36 28.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.294 -0.879 . . . . 0.0 110.792 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -113.47 90.3 17.15 Favored Pre-proline 0 N--CA 1.493 1.717 0 O-C-N 121.298 -0.876 . . . . 0.0 109.471 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -70.83 106.33 1.83 Allowed 'Trans proline' 0 C--N 1.314 -1.255 0 O-C-N 123.715 1.376 . . . . 0.0 110.7 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.85 -10.01 59.66 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.559 -0.713 . . . . 0.0 110.952 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.0 mtm -89.15 -54.09 4.27 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.212 -0.93 . . . . 0.0 110.186 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.152 0.501 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.64 113.84 15.91 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.451 -0.781 . . . . 0.0 109.953 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -107.91 -52.48 2.76 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.56 -0.712 . . . . 0.0 110.395 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.55 86.33 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.586 -0.696 . . . . 0.0 110.164 179.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.12 -35.31 78.35 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.627 -0.671 . . . . 0.0 110.312 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.65 -43.35 89.79 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.583 -0.698 . . . . 0.0 110.289 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.8 mt -73.23 -34.12 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.29 -0.881 . . . . 0.0 109.882 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.32 -47.93 80.29 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.536 -0.727 . . . . 0.0 110.538 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.93 -40.5 75.48 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.42 -0.8 . . . . 0.0 110.295 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.14 -42.55 97.16 Favored Glycine 0 N--CA 1.496 2.686 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -62.8 -44.69 95.51 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.596 -0.943 . . . . 0.0 109.779 179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -43.47 97.34 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.57 -0.706 . . . . 0.0 109.451 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -66.26 -40.96 88.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.662 -0.649 . . . . 0.0 109.402 179.081 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.44 -42.42 70.55 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.634 -0.667 . . . . 0.0 109.928 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -66.64 -43.61 84.18 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.461 -0.775 . . . . 0.0 109.548 178.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 4.1 tpt -58.98 -39.13 80.84 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.688 -0.633 . . . . 0.0 110.237 179.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.36 -42.8 96.01 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.586 -0.696 . . . . 0.0 110.131 179.65 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -60.24 -44.18 95.45 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.761 -0.587 . . . . 0.0 110.132 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 t -65.94 -36.01 82.19 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.48 -0.763 . . . . 0.0 110.402 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -62.33 -47.37 84.54 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.361 -0.837 . . . . 0.0 110.491 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.1 mp -62.45 -35.76 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.478 -0.764 . . . . 0.0 110.169 179.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -67.79 -42.82 81.04 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.598 -0.689 . . . . 0.0 109.884 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.29 96.92 Favored Glycine 0 N--CA 1.495 2.619 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 179.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 21' ' ' ILE . 25.3 mt -61.58 -40.84 96.19 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.605 -0.938 . . . . 0.0 109.922 179.264 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.76 -40.17 94.23 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.671 -0.643 . . . . 0.0 109.852 179.349 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -30.06 65.07 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.482 -0.761 . . . . 0.0 110.206 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -61.49 -49.92 74.82 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.323 -0.86 . . . . 0.0 109.76 179.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.85 94.67 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.657 -0.652 . . . . 0.0 109.793 179.107 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.0 t -67.77 -30.71 70.23 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.727 -0.608 . . . . 0.0 110.244 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -46.76 82.53 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.492 -0.755 . . . . 0.0 110.194 179.731 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -38.54 88.21 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.548 -0.72 . . . . 0.0 109.784 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.0 -33.74 70.68 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.615 -0.678 . . . . 0.0 109.992 179.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HA ' ' HB2' ' A' ' 36' ' ' GLN . 45.2 mt-30 -73.99 -28.16 61.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.407 -0.808 . . . . 0.0 110.6 179.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -44.33 79.08 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.538 -0.726 . . . . 0.0 110.889 -179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 11.2 tt -110.6 35.05 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.317 -0.864 . . . . 0.0 110.579 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.496 ' HB2' ' HA ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -92.69 124.2 59.52 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.067 -1.021 . . . . 0.0 110.39 179.808 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -74.63 135.43 19.81 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 O-C-N 123.846 1.445 . . . . 0.0 110.489 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -93.61 -45.95 7.49 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.503 -0.748 . . . . 0.0 110.291 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.79 -17.91 19.08 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.605 -0.685 . . . . 0.0 110.746 179.772 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 117.789 -1.101 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.162 0.506 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -137.38 164.69 28.01 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.439 -0.788 . . . . 0.0 110.094 179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -46.62 90.02 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.514 -0.741 . . . . 0.0 110.339 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.02 -36.69 59.02 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.448 -0.783 . . . . 0.0 110.386 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.35 -40.43 86.39 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.56 -0.713 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.8 -46.28 87.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.469 -0.769 . . . . 0.0 110.661 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.6 mt -62.02 -39.57 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.481 -0.762 . . . . 0.0 110.537 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -77.73 -33.87 52.8 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.227 -0.921 . . . . 0.0 110.425 179.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -54.34 -45.51 72.72 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.443 -0.785 . . . . 0.0 110.631 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.42 -47.68 41.56 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 1.1 tt0 -60.74 -31.06 70.4 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.41 -1.053 . . . . 0.0 110.43 179.7 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -35.26 72.59 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.178 -0.951 . . . . 0.0 110.636 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.2 mt -92.28 -58.14 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.349 -0.845 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.83 -51.06 62.35 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.452 -0.78 . . . . 0.0 111.686 -178.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 11' ' ' GLN . 2.4 tt0 -63.42 -49.7 72.69 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.23 -0.919 . . . . 0.0 110.645 -179.606 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -41.46 98.89 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.328 -0.858 . . . . 0.0 110.8 -179.858 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 2.0 mm? -63.01 -32.2 73.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.221 -0.924 . . . . 0.0 110.504 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -49.74 76.46 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.519 -0.738 . . . . 0.0 109.832 179.563 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 m -73.95 -33.32 63.86 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 120.039 -0.664 . . . . 0.0 109.94 179.166 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -60.91 -37.2 81.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.554 -0.716 . . . . 0.0 110.28 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.87 -36.37 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.496 -0.753 . . . . 0.0 109.977 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.08 -41.69 67.05 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.519 -0.738 . . . . 0.0 110.034 179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.99 -44.54 88.43 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 179.814 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.26 -40.88 82.99 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.613 -0.933 . . . . 0.0 110.199 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.94 -34.9 79.17 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.494 -0.754 . . . . 0.0 110.291 179.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -36.73 83.62 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.367 -0.833 . . . . 0.0 110.272 179.641 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -85.16 -28.1 25.74 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.352 -0.842 . . . . 0.0 110.505 179.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.86 8.8 16.17 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.528 -0.733 . . . . 0.0 111.426 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.4 p -88.8 -59.36 2.25 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.932 -1.105 . . . . 0.0 110.541 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -66.88 -42.29 85.81 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.39 -0.819 . . . . 0.0 110.575 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -34.73 74.03 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.467 -0.77 . . . . 0.0 110.228 179.654 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.33 -31.32 58.07 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.385 -0.822 . . . . 0.0 110.392 179.44 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -19.12 62.54 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.377 -0.827 . . . . 0.0 110.964 179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -74.3 0.07 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.352 -0.842 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 36' ' ' GLN . 8.2 tt -175.62 -43.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.542 -0.724 . . . . 0.0 110.546 179.592 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' N ' HG23 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -150.6 149.8 26.93 Favored Pre-proline 0 N--CA 1.496 1.83 0 O-C-N 121.487 -0.758 . . . . 0.0 110.658 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.4 172.15 16.24 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 O-C-N 123.82 1.431 . . . . 0.0 110.277 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -99.41 20.44 13.74 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.359 -0.838 . . . . 0.0 111.174 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.37 19.02 18.58 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.047 -1.033 . . . . 0.0 110.839 179.835 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.063 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.114 0.483 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 m -134.82 107.02 7.16 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.417 -0.802 . . . . 0.0 110.273 -179.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.69 -53.96 2.54 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.517 -0.739 . . . . 0.0 110.394 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.08 -46.22 91.54 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.459 -0.776 . . . . 0.0 110.449 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.17 -33.77 71.32 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.664 -0.648 . . . . 0.0 110.689 179.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.82 -46.1 81.88 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.456 -0.778 . . . . 0.0 110.246 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mt -73.76 -36.29 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.438 -0.789 . . . . 0.0 109.741 179.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.08 -38.54 86.61 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.467 -0.77 . . . . 0.0 110.607 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.35 -36.9 79.07 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.439 -0.788 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.93 20.87 45.98 Favored Glycine 0 N--CA 1.494 2.539 0 C-N-CA 120.107 -1.044 . . . . 0.0 110.563 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -55.88 3.66 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.033 -1.275 . . . . 0.0 109.843 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -21.09 30.99 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.626 -0.672 . . . . 0.0 110.437 179.45 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 mm -79.94 -31.67 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.277 -0.889 . . . . 0.0 110.231 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.11 -51.68 67.04 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.401 -0.812 . . . . 0.0 110.3 179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -43.9 94.16 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.615 -0.678 . . . . 0.0 109.936 179.55 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.18 -35.32 78.49 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.396 -0.815 . . . . 0.0 109.737 179.005 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.5 tp -68.52 -32.5 72.5 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.506 -0.746 . . . . 0.0 109.92 179.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -47.92 84.19 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.544 -0.723 . . . . 0.0 109.862 179.212 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 p -74.75 -34.81 62.58 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.546 -0.721 . . . . 0.0 109.631 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -65.05 -43.4 92.44 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.508 -0.745 . . . . 0.0 109.97 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.7 mm -63.02 -33.96 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.509 -0.745 . . . . 0.0 109.915 179.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -64.12 -42.79 96.72 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.511 -0.743 . . . . 0.0 109.62 179.18 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.91 -37.79 93.62 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.191 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -30.96 61.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.463 -1.022 . . . . 0.0 110.089 179.277 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -63.85 -18.04 63.76 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.476 -0.765 . . . . 0.0 111.209 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.87 -49.48 59.08 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.194 -0.941 . . . . 0.0 110.166 179.721 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -76.58 -37.21 56.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.186 -0.946 . . . . 0.0 110.17 179.552 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . . . -68.16 -24.47 64.98 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.611 -0.681 . . . . 0.0 111.059 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 p -60.64 -35.31 75.88 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.356 -0.84 . . . . 0.0 110.434 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -39.69 94.87 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.283 -0.886 . . . . 0.0 109.851 179.232 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -70.09 -33.19 71.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.498 -0.751 . . . . 0.0 109.938 179.219 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 36' ' ' GLN . . . -77.72 -29.93 51.5 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.401 -0.812 . . . . 0.0 110.602 179.629 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -59.19 -29.68 67.64 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.261 -0.899 . . . . 0.0 110.696 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.72 -59.98 4.58 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.459 -0.776 . . . . 0.0 111.025 -179.695 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 35' ' ' ILE . 9.7 tp -149.86 28.41 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.076 0 O-C-N 121.237 -0.915 . . . . 0.0 111.279 -179.35 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.505 ' HB3' ' HA ' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -125.75 86.03 58.16 Favored Pre-proline 0 N--CA 1.494 1.735 0 O-C-N 121.05 -1.031 . . . . 0.0 109.926 179.73 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -72.32 101.06 1.2 Allowed 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.878 1.462 . . . . 0.0 110.696 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -104.63 -44.0 4.99 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.444 -0.785 . . . . 0.0 110.178 179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.9 mtt -99.74 -45.68 5.67 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.465 -0.772 . . . . 0.0 110.009 179.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 . . . . . 0 N--CA 1.496 1.857 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.234 179.745 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 121.084 0.468 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.45 142.22 31.12 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.489 -0.757 . . . . 0.0 110.274 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -11.18 59.91 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.484 -0.76 . . . . 0.0 111.173 -179.89 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.748 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -52.5 -42.83 64.63 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.297 -0.877 . . . . 0.0 110.674 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.61 93.29 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.47 -0.769 . . . . 0.0 110.036 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.1 tt -66.72 -32.46 73.78 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.486 -0.759 . . . . 0.0 110.402 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.748 HD12 ' HA ' ' A' ' 4' ' ' ALA . 53.4 mt -68.76 -39.54 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.181 -0.949 . . . . 0.0 109.719 179.453 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -72.18 -51.67 20.12 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.448 -0.783 . . . . 0.0 109.538 179.325 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -68.11 -27.9 66.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.471 -0.768 . . . . 0.0 110.133 179.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.553 ' HA2' HD12 ' A' ' 13' ' ' ILE . . . -58.0 -29.41 62.18 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -57.07 -33.99 67.82 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.159 -1.201 . . . . 0.0 110.264 179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -81.14 -41.96 21.64 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.322 -0.861 . . . . 0.0 109.501 179.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.553 HD12 ' HA2' ' A' ' 10' ' ' GLY . 16.5 mt -64.07 -39.02 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.645 -0.66 . . . . 0.0 109.689 179.361 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.39 -39.91 94.78 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.575 -0.703 . . . . 0.0 110.301 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.61 -41.8 95.95 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.43 -0.794 . . . . 0.0 109.992 179.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -46.46 77.8 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.49 -0.756 . . . . 0.0 109.569 179.395 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 tp -63.7 -37.78 88.63 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.543 -0.723 . . . . 0.0 109.794 179.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 ttmm -58.56 -41.32 85.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.719 -0.613 . . . . 0.0 109.836 179.231 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 t -62.52 -41.86 99.14 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.537 -0.727 . . . . 0.0 109.774 179.221 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.31 -40.33 89.9 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.586 -0.696 . . . . 0.0 109.758 179.155 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.37 -36.35 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.548 -0.72 . . . . 0.0 109.635 179.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.88 85.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.771 -0.581 . . . . 0.0 109.961 179.24 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.32 -43.14 99.75 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 179.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.66 -28.37 68.41 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.602 -0.94 . . . . 0.0 109.887 178.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 29' ' ' SER . 0.9 OUTLIER -56.32 -38.65 71.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.593 -0.692 . . . . 0.0 110.302 179.555 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -44.42 96.16 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.409 -0.807 . . . . 0.0 109.749 179.244 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -66.44 -33.25 75.28 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.464 -0.772 . . . . 0.0 110.178 179.307 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.07 -29.76 39.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.557 -0.714 . . . . 0.0 110.434 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.489 ' HA ' ' HB3' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -68.57 -12.09 60.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.458 -0.776 . . . . 0.0 110.995 179.849 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -51.54 -45.26 62.94 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.236 -0.915 . . . . 0.0 110.408 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -34.53 24.62 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.57 -0.706 . . . . 0.0 110.112 179.336 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 29' ' ' SER . . . -70.41 -18.91 63.03 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.575 -0.703 . . . . 0.0 111.348 -179.722 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -62.17 -51.72 66.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.106 -0.996 . . . . 0.0 110.896 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.06 40.22 0.54 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.422 -0.798 . . . . 0.0 110.707 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mt 52.57 69.03 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.569 -0.707 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.42 130.06 89.58 Favored Pre-proline 0 N--CA 1.498 1.969 0 O-C-N 121.426 -0.796 . . . . 0.0 110.419 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -75.69 84.02 1.83 Allowed 'Trans proline' 0 C--N 1.315 -1.187 0 O-C-N 123.979 1.515 . . . . 0.0 110.442 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.3 -44.81 11.81 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.418 -0.801 . . . . 0.0 110.508 -179.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.1 mmt -100.43 -52.81 3.26 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.386 -0.821 . . . . 0.0 109.911 179.771 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 117.892 -1.051 . . . . 0.0 110.143 179.715 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.031 0.443 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -146.52 148.4 32.14 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.414 -0.804 . . . . 0.0 110.245 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -84.57 -4.18 58.84 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.45 -0.781 . . . . 0.0 110.925 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.39 -47.13 76.32 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.242 -0.911 . . . . 0.0 110.068 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.22 -34.41 77.97 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.53 -0.731 . . . . 0.0 110.045 179.261 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.449 ' HA ' HD13 ' A' ' 6' ' ' LEU . 2.7 mm? -60.15 -39.38 86.17 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.356 -0.84 . . . . 0.0 110.052 179.404 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 mt -75.0 -35.16 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.384 -0.822 . . . . 0.0 109.78 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.32 -38.91 91.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.454 -0.779 . . . . 0.0 110.192 179.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.4 -31.59 62.39 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.343 -0.848 . . . . 0.0 110.46 179.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.34 -33.14 52.58 Favored Glycine 0 N--CA 1.497 2.732 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -57.24 -47.41 81.45 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.542 -0.975 . . . . 0.0 110.088 179.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -68.68 -42.98 77.08 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.503 -0.748 . . . . 0.0 110.128 179.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.3 mt -63.03 -44.95 99.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 O-C-N 121.413 -0.804 . . . . 0.0 109.677 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.21 81.26 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.541 -0.724 . . . . 0.0 110.175 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.45 -46.52 86.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.386 -0.821 . . . . 0.0 109.814 179.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 tpt -68.82 -36.07 77.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.558 -0.714 . . . . 0.0 109.606 179.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.1 mp -72.06 -19.39 61.84 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.633 -0.667 . . . . 0.0 110.549 179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -56.24 -48.22 76.94 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.576 -0.703 . . . . 0.0 110.181 179.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -64.41 -39.44 93.85 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.57 -0.706 . . . . 0.0 110.099 179.401 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -60.51 -39.73 88.85 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.465 -0.772 . . . . 0.0 109.984 179.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 mt -68.51 -35.18 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.448 -0.783 . . . . 0.0 109.77 179.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' HA ' ' HB2' ' A' ' 25' ' ' LEU . 2.1 tp60 -65.66 -31.45 72.47 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.765 -0.584 . . . . 0.0 110.583 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.21 -48.57 67.86 Favored Glycine 0 N--CA 1.496 2.68 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 179.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.0 mt -74.67 -30.09 61.47 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.465 -1.02 . . . . 0.0 110.022 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 22' ' ' GLN . 16.3 mt -67.16 -27.0 66.93 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.495 -0.753 . . . . 0.0 110.611 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -37.97 62.82 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.39 -0.819 . . . . 0.0 110.828 -179.846 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -84.7 -35.39 22.57 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.319 -0.863 . . . . 0.0 110.739 179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.36 -32.49 60.86 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.541 -0.724 . . . . 0.0 111.121 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 90.5 p -63.64 -44.81 92.76 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.371 -0.83 . . . . 0.0 110.595 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -68.78 -28.77 67.07 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.39 -0.819 . . . . 0.0 110.806 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -42.74 99.4 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.117 -0.989 . . . . 0.0 110.35 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.586 ' HA ' HD11 ' A' ' 35' ' ' ILE . . . -93.82 -19.53 20.93 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.413 -0.805 . . . . 0.0 111.537 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -96.9 -34.02 11.4 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.017 -1.052 . . . . 0.0 111.425 -179.111 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -100.87 54.44 0.85 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.217 -0.927 . . . . 0.0 110.744 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.586 HD11 ' HA ' ' A' ' 32' ' ' ALA . 48.4 mt -92.87 18.42 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.248 -0.907 . . . . 0.0 110.28 179.259 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -146.16 67.19 11.88 Favored Pre-proline 0 N--CA 1.496 1.836 0 O-C-N 121.096 -1.002 . . . . 0.0 110.552 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -73.42 135.87 23.01 Favored 'Trans proline' 0 C--N 1.314 -1.252 0 O-C-N 123.714 1.376 . . . . 0.0 110.603 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -103.9 20.68 17.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.597 -0.689 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.2 mmm -82.64 -37.62 24.65 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.205 -0.935 . . . . 0.0 110.382 179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.135 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.019 0.438 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -122.64 114.94 21.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.561 -0.712 . . . . 0.0 110.054 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.6 mtt85 -73.6 -22.04 60.14 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.502 -0.749 . . . . 0.0 110.933 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.09 -50.5 69.02 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.367 -0.833 . . . . 0.0 110.435 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.77 -36.84 67.74 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.396 -0.815 . . . . 0.0 110.186 179.535 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tt -56.05 -36.19 67.77 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.691 -0.631 . . . . 0.0 110.546 179.703 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.1 mm -82.82 -44.91 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.292 -0.88 . . . . 0.0 110.03 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -58.35 -54.6 45.21 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.551 -0.718 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.89 -34.08 51.68 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.449 -0.782 . . . . 0.0 110.268 179.527 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.05 -29.8 71.89 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -55.22 -41.92 72.69 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.213 -1.169 . . . . 0.0 110.647 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.3 -39.21 48.74 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.431 -0.793 . . . . 0.0 110.322 179.653 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -70.09 -35.26 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.426 -0.796 . . . . 0.0 110.197 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.13 -43.6 82.53 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.528 -0.732 . . . . 0.0 110.422 179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -41.37 96.72 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.561 -0.712 . . . . 0.0 109.657 179.326 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 ttm -72.67 -36.94 68.04 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.474 -0.766 . . . . 0.0 109.989 179.105 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.12 -29.72 70.6 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.401 -0.812 . . . . 0.0 110.458 179.658 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -44.62 87.7 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.607 -0.683 . . . . 0.0 109.327 179.286 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -73.07 -34.27 66.14 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.655 -0.653 . . . . 0.0 109.319 178.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -61.51 -39.39 90.83 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.668 -0.645 . . . . 0.0 109.706 179.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.99 -34.88 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.528 -0.733 . . . . 0.0 109.922 179.298 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -62.39 -49.78 74.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.589 -0.694 . . . . 0.0 109.776 179.514 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.42 99.87 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.187 -1.565 . . . . 0.0 109.187 179.217 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -58.09 -44.79 87.8 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.631 -0.923 . . . . 0.0 110.084 179.39 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.95 -40.49 89.19 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 0.0 109.935 179.339 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -42.8 97.27 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.655 -0.653 . . . . 0.0 109.665 179.246 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -63.61 -38.01 89.48 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.532 -0.73 . . . . 0.0 110.211 179.472 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.07 81.83 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.805 -0.56 . . . . 0.0 110.093 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.3 m -75.57 -34.3 60.67 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.574 -0.704 . . . . 0.0 109.962 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -54.29 -56.54 17.46 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.596 -0.69 . . . . 0.0 110.363 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -64.94 -32.15 73.72 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.398 -0.814 . . . . 0.0 110.616 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.91 -33.89 76.87 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.317 -0.864 . . . . 0.0 110.442 179.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -20.47 61.76 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.403 -0.811 . . . . 0.0 110.472 179.711 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -91.36 -78.48 0.39 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.304 -0.872 . . . . 0.0 110.157 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 35' ' ' ILE . 41.2 mm 49.37 42.28 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 O-C-N 121.452 -0.78 . . . . 0.0 110.48 -179.699 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -146.96 163.25 29.66 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.292 -0.88 . . . . 0.0 110.458 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.07 98.98 1.05 Allowed 'Trans proline' 0 C--N 1.312 -1.384 0 O-C-N 123.693 1.365 . . . . 0.0 110.142 179.671 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.01 -14.14 60.97 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.424 -0.797 . . . . 0.0 111.193 -179.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -45.88 18.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.1 -1.0 . . . . 0.0 110.169 179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.867 0 CA-C-O 118.421 -0.8 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.072 0.463 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.96 142.98 34.56 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.413 -0.804 . . . . 0.0 110.243 179.923 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.73 3.28 44.89 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.547 -0.72 . . . . 0.0 111.074 179.772 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -64.67 -33.73 76.64 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.115 -0.991 . . . . 0.0 110.546 179.809 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.04 -36.83 68.45 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.514 -0.742 . . . . 0.0 110.495 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -39.01 92.64 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.363 -0.835 . . . . 0.0 110.005 179.398 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 4' ' ' ALA . 4.7 mt -69.01 -34.57 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.54 -0.725 . . . . 0.0 109.87 179.237 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -61.35 -39.03 89.08 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.471 -0.768 . . . . 0.0 110.024 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -80.51 -19.22 46.31 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.26 -0.9 . . . . 0.0 110.569 179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.56 -15.61 73.28 Favored Glycine 0 N--CA 1.493 2.492 0 O-C-N 121.264 -0.898 . . . . 0.0 111.209 -179.694 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 10.7 pt20 -56.28 -38.79 71.67 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.857 -1.378 . . . . 0.0 111.025 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 2.6 ttp-105 -84.86 -35.64 22.1 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.137 -0.977 . . . . 0.0 109.931 179.317 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.11 -36.13 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.467 -0.77 . . . . 0.0 110.275 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.93 83.54 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.438 -0.789 . . . . 0.0 110.544 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.47 -43.28 90.77 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.457 -0.777 . . . . 0.0 110.143 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 7.7 ttp -68.0 -35.88 79.06 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.483 -0.761 . . . . 0.0 110.326 179.592 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 tp -75.72 -25.22 56.43 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.278 -0.888 . . . . 0.0 110.426 179.586 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -59.88 -49.64 76.89 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.507 -0.745 . . . . 0.0 110.261 179.777 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.2 p -64.67 -35.06 79.8 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.484 -0.76 . . . . 0.0 110.217 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -63.85 -47.92 78.82 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.508 -0.745 . . . . 0.0 110.155 179.586 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.28 -33.25 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.416 -0.803 . . . . 0.0 110.061 179.639 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -62.0 -48.95 78.01 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.493 -0.754 . . . . 0.0 109.755 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.25 93.16 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 109.149 -1.581 . . . . 0.0 109.149 178.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.41 -40.63 97.73 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.62 -0.93 . . . . 0.0 109.926 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -41.06 91.38 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.56 -0.713 . . . . 0.0 110.139 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -63.4 -42.06 98.78 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.488 -0.757 . . . . 0.0 110.264 179.867 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -66.82 -36.03 81.43 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.442 -0.786 . . . . 0.0 110.082 179.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.33 99.21 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.678 -0.639 . . . . 0.0 109.94 179.253 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.1 t -63.2 -39.49 94.77 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.684 -0.635 . . . . 0.0 109.826 179.218 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -38.8 62.58 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.522 -0.736 . . . . 0.0 109.942 179.47 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -38.05 83.86 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.509 -0.744 . . . . 0.0 110.218 179.58 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.84 -33.97 66.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.431 -0.793 . . . . 0.0 110.247 179.54 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -104.09 31.73 4.38 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.454 -0.778 . . . . 0.0 110.54 179.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.63 ' HB3' HD12 ' A' ' 35' ' ' ILE . 3.9 t70 -84.17 -39.39 19.46 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.295 -0.878 . . . . 0.0 111.166 -179.273 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.63 HD12 ' HB3' ' A' ' 34' ' ' ASP . 3.2 mp -121.45 -74.59 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.226 -0.921 . . . . 0.0 110.511 -179.652 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -147.02 132.25 9.07 Favored Pre-proline 0 N--CA 1.496 1.869 0 O-C-N 121.304 -0.872 . . . . 0.0 110.436 -179.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.72 -166.53 0.4 Allowed 'Trans proline' 0 C--N 1.314 -1.249 0 O-C-N 123.947 1.498 . . . . 0.0 110.777 179.794 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.55 -38.75 12.31 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.31 -0.869 . . . . 0.0 110.929 -179.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.0 mtm -73.73 -62.75 1.39 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.385 -0.822 . . . . 0.0 110.429 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.422 -0.799 . . . . 0.0 110.053 -179.955 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.086 0.47 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 p -133.13 113.88 13.24 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.42 -0.8 . . . . 0.0 110.455 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -108.04 -51.16 2.94 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.471 -0.768 . . . . 0.0 110.36 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.69 -45.42 52.54 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.421 -0.799 . . . . 0.0 110.518 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.8 -25.62 68.33 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.452 -0.78 . . . . 0.0 110.753 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -32.23 69.14 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.516 -0.74 . . . . 0.0 110.677 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.6 mt -77.61 -37.27 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.274 -0.891 . . . . 0.0 110.077 179.791 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -83.01 -63.09 1.43 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.492 -0.755 . . . . 0.0 110.395 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.67 -36.49 84.45 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.351 -0.843 . . . . 0.0 110.395 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.7 -32.72 74.88 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 179.632 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -59.64 -40.66 88.38 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.324 -1.103 . . . . 0.0 109.871 179.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -79.94 -41.52 25.86 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.556 -0.715 . . . . 0.0 110.005 179.504 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.13 -38.09 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.494 -0.754 . . . . 0.0 110.224 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.2 -38.21 68.1 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.503 -0.748 . . . . 0.0 110.49 179.515 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -72.47 -41.26 66.25 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.443 -0.786 . . . . 0.0 110.042 179.353 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -45.64 78.3 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.343 -0.848 . . . . 0.0 110.219 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.43 -24.39 64.73 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.475 -0.766 . . . . 0.0 110.285 179.651 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -44.08 84.4 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.671 -0.643 . . . . 0.0 110.163 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -63.43 -39.3 94.11 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.559 -0.713 . . . . 0.0 110.033 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.57 -40.48 94.87 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.453 -0.78 . . . . 0.0 109.946 179.527 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.8 mt -72.87 -32.44 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.478 -0.764 . . . . 0.0 110.267 179.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -60.68 -47.27 86.99 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.529 -0.732 . . . . 0.0 109.972 179.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.65 -42.99 98.55 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 108.921 -1.672 . . . . 0.0 108.921 179.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 tt -62.09 -40.15 94.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.67 -0.9 . . . . 0.0 109.902 179.199 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.73 -39.41 93.59 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.563 -0.71 . . . . 0.0 110.132 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -40.72 96.77 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.507 -0.746 . . . . 0.0 110.158 179.543 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -60.49 -43.66 96.75 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.531 -0.731 . . . . 0.0 109.798 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.35 -42.02 72.41 Favored 'General case' 0 N--CA 1.496 1.838 0 CA-C-O 121.3 0.571 . . . . 0.0 109.877 179.2 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.5 m -64.57 -42.94 95.31 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.688 -0.633 . . . . 0.0 109.823 179.331 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -59.04 -39.61 82.54 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.614 -0.679 . . . . 0.0 110.017 179.368 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -53.24 -35.89 60.47 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.46 -0.775 . . . . 0.0 110.253 179.387 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.08 -23.94 19.31 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.469 -0.769 . . . . 0.0 110.705 179.346 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.04 31.01 5.66 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.236 -0.915 . . . . 0.0 111.181 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -155.61 51.73 0.57 Allowed 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.09 -1.006 . . . . 0.0 110.418 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 mt -115.4 50.83 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.276 -0.89 . . . . 0.0 109.616 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -145.34 68.4 13.54 Favored Pre-proline 0 N--CA 1.498 1.949 0 O-C-N 121.311 -0.868 . . . . 0.0 110.484 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -75.02 88.92 1.2 Allowed 'Trans proline' 0 C--N 1.315 -1.193 0 O-C-N 123.825 1.434 . . . . 0.0 110.485 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.02 -45.5 9.13 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.382 -0.824 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.4 mmt -100.09 -51.53 3.66 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.487 -0.758 . . . . 0.0 109.861 179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.163 179.721 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 121.106 0.479 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.448 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -82.45 131.31 35.22 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.544 -0.722 . . . . 0.0 110.016 179.848 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -55.8 -45.77 78.17 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.637 -0.664 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.11 -42.39 76.17 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.5 -0.75 . . . . 0.0 110.247 179.582 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 2' ' ' SER . . . -66.75 -25.15 66.36 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.458 -0.777 . . . . 0.0 111.024 179.869 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -46.39 89.69 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.18 -0.95 . . . . 0.0 110.233 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.35 -45.67 92.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.378 -0.826 . . . . 0.0 109.66 179.471 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.02 -45.9 83.57 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.426 -0.796 . . . . 0.0 109.812 179.378 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.9 -41.17 91.06 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.553 -0.717 . . . . 0.0 109.972 179.286 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.14 -41.46 94.94 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -57.38 -40.09 77.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.523 -0.987 . . . . 0.0 110.224 179.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -46.14 73.59 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.526 -0.733 . . . . 0.0 110.132 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.6 mt -71.66 -36.54 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.37 -0.831 . . . . 0.0 110.309 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.58 -48.36 74.94 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.426 -0.796 . . . . 0.0 110.603 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.7 -43.38 80.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.43 -0.794 . . . . 0.0 109.846 179.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 43.9 mmm -61.38 -36.27 79.8 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.53 -0.731 . . . . 0.0 110.158 179.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mp -73.28 -33.26 65.13 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.524 -0.735 . . . . 0.0 110.499 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.99 -43.82 98.3 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.571 -0.706 . . . . 0.0 110.43 179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.7 p -72.26 -35.16 68.71 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.332 -0.855 . . . . 0.0 110.101 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -62.25 -47.13 85.72 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.494 -0.754 . . . . 0.0 110.114 179.415 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.0 mm -61.98 -33.75 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.434 -0.791 . . . . 0.0 110.108 179.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -40.81 87.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.672 -0.643 . . . . 0.0 109.972 179.348 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.84 -41.55 97.45 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.666 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.47 -50.75 71.5 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.597 -0.943 . . . . 0.0 110.027 179.523 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.28 -41.85 99.04 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.579 -0.701 . . . . 0.0 109.951 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -39.21 93.83 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.446 -0.784 . . . . 0.0 110.023 179.4 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -65.86 -30.49 71.1 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.408 -0.808 . . . . 0.0 110.082 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.04 -30.83 69.45 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.619 -0.676 . . . . 0.0 109.818 179.076 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 t -94.25 -38.08 11.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.744 -0.597 . . . . 0.0 109.892 179.196 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -34.33 73.49 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.47 -0.769 . . . . 0.0 111.462 -179.541 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -54.7 -19.69 6.74 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.187 -0.946 . . . . 0.0 111.827 -179.546 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.12 -33.32 14.8 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.974 -1.079 . . . . 0.0 110.52 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -107.39 32.04 4.96 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.367 -0.833 . . . . 0.0 111.354 -179.537 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -108.22 40.85 1.67 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.108 -0.995 . . . . 0.0 110.603 179.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 35' ' ' ILE . 6.0 tp -106.35 37.97 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.171 -0.956 . . . . 0.0 110.882 -179.763 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.26 143.06 40.04 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.085 -1.009 . . . . 0.0 110.221 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -73.69 95.15 0.87 Allowed 'Trans proline' 0 C--N 1.314 -1.26 0 O-C-N 123.889 1.468 . . . . 0.0 110.55 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.55 -49.51 5.11 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.499 -0.751 . . . . 0.0 110.08 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -95.3 -53.46 3.76 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.455 -0.778 . . . . 0.0 110.014 179.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.074 179.757 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 121.105 0.479 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.72 158.3 15.57 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.394 -0.816 . . . . 0.0 110.189 179.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -50.91 69.17 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.421 -0.799 . . . . 0.0 109.813 179.763 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.47 83.58 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.578 -0.701 . . . . 0.0 110.354 179.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.4 96.78 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.43 -0.794 . . . . 0.0 110.131 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.79 -38.72 86.3 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.634 -0.666 . . . . 0.0 110.291 179.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.7 mm -72.41 -44.12 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.468 -0.77 . . . . 0.0 109.792 179.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -64.58 -48.9 73.26 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.453 -0.78 . . . . 0.0 110.087 179.593 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.91 -36.9 75.73 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.384 -0.823 . . . . 0.0 110.07 179.403 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.35 -45.15 95.91 Favored Glycine 0 N--CA 1.495 2.608 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -43.84 98.07 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.462 -1.023 . . . . 0.0 109.702 179.422 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 -47.44 77.68 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.47 -0.769 . . . . 0.0 109.594 179.117 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mt -63.41 -42.39 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.625 -0.672 . . . . 0.0 109.635 179.246 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.66 91.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.493 -0.754 . . . . 0.0 110.527 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.53 -41.64 94.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.428 -0.795 . . . . 0.0 110.437 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -65.33 -32.94 74.85 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.419 -0.801 . . . . 0.0 110.084 179.404 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' HA ' HD13 ' A' ' 17' ' ' LEU . 1.7 mm? -76.61 -25.41 53.85 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.384 -0.822 . . . . 0.0 110.7 179.834 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -45.72 89.66 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.476 -0.765 . . . . 0.0 110.243 179.799 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -67.25 -32.55 73.64 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.529 -0.732 . . . . 0.0 110.041 179.277 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -64.53 -40.07 94.92 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.36 -0.838 . . . . 0.0 110.108 179.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 mp -74.93 -26.37 19.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.468 -0.77 . . . . 0.0 109.913 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.87 -46.98 78.12 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.558 -0.714 . . . . 0.0 110.431 179.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.72 95.61 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tt -67.29 -41.07 86.04 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.474 -1.015 . . . . 0.0 109.827 179.273 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -30.18 70.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.761 -0.587 . . . . 0.0 110.657 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -45.92 80.45 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.331 -0.855 . . . . 0.0 110.39 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -75.16 -38.0 61.09 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.506 -0.746 . . . . 0.0 109.963 179.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -36.45 83.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.613 -0.679 . . . . 0.0 110.268 179.397 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 t -58.28 -42.55 86.82 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.681 -0.637 . . . . 0.0 109.958 179.548 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.01 -34.93 69.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.622 -0.674 . . . . 0.0 110.231 179.37 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -60.16 -32.47 71.08 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.484 -0.76 . . . . 0.0 110.606 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.57 -1.08 57.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.322 -0.862 . . . . 0.0 111.414 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -102.52 30.29 4.72 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.926 -1.109 . . . . 0.0 111.183 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -100.39 -31.19 11.44 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.068 -1.02 . . . . 0.0 110.464 179.496 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.504 ' O ' HG22 ' A' ' 35' ' ' ILE . 43.7 mm -107.42 49.52 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.258 -0.901 . . . . 0.0 109.145 178.834 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -90.83 148.25 37.86 Favored Pre-proline 0 N--CA 1.497 1.883 0 O-C-N 121.236 -0.915 . . . . 0.0 110.529 -179.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -74.24 111.32 3.28 Favored 'Trans proline' 0 C--N 1.314 -1.279 0 O-C-N 123.873 1.46 . . . . 0.0 110.508 -179.828 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.6 -42.71 10.63 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.523 -0.736 . . . . 0.0 110.076 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.4 ptm -99.2 19.66 14.93 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.508 -0.745 . . . . 0.0 110.644 179.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.227 -179.928 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 121.059 0.457 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -150.42 165.05 34.31 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.417 -0.802 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -60.17 -49.23 78.44 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.469 -0.769 . . . . 0.0 110.165 179.715 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.73 -44.88 96.05 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.578 -0.701 . . . . 0.0 110.211 179.614 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.77 90.22 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.599 -0.688 . . . . 0.0 110.471 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 tt -59.38 -47.7 84.45 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.468 -0.77 . . . . 0.0 110.188 179.615 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.0 mm -66.13 -37.11 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.513 -0.742 . . . . 0.0 109.837 179.463 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -61.81 -44.03 97.68 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.497 -0.752 . . . . 0.0 110.091 179.405 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.2 -46.02 88.98 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.451 -0.781 . . . . 0.0 109.907 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.99 -41.47 97.29 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.267 -1.533 . . . . 0.0 109.267 179.511 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -58.39 -36.36 73.42 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.578 -0.954 . . . . 0.0 110.484 179.525 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -63.88 -44.65 92.4 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.394 -0.816 . . . . 0.0 110.218 179.696 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.8 mt -80.32 -44.01 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.452 -0.78 . . . . 0.0 110.315 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 18' ' ' LYS . . . -60.81 -46.19 91.5 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.325 -0.859 . . . . 0.0 110.894 -179.863 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.08 -47.04 69.35 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.374 -0.829 . . . . 0.0 110.404 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 ttm -63.73 -34.9 78.92 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.38 -0.825 . . . . 0.0 110.468 179.654 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tp -81.02 -31.09 34.76 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.326 -0.859 . . . . 0.0 110.116 179.485 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 14' ' ' ALA . 20.3 tptt -55.6 -45.43 77.47 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.588 -0.695 . . . . 0.0 110.629 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.0 p -61.86 -38.14 87.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.384 -0.822 . . . . 0.0 110.359 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.6 mttp -68.66 -40.88 79.97 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.434 -0.791 . . . . 0.0 110.338 179.68 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.6 mm -66.31 -30.95 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.35 -0.844 . . . . 0.0 110.185 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -50.35 73.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.531 -0.73 . . . . 0.0 109.953 179.624 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.59 -38.88 86.72 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 179.396 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.48 -42.15 98.58 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.549 -0.971 . . . . 0.0 110.338 179.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tp -66.6 -38.28 86.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.523 -0.736 . . . . 0.0 110.38 179.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.22 -39.17 93.87 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.45 -0.781 . . . . 0.0 110.184 179.49 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -71.89 -25.28 61.86 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.375 -0.828 . . . . 0.0 110.234 179.559 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.44 -21.37 38.89 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.492 -0.755 . . . . 0.0 110.517 179.286 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.1 m -60.44 -50.6 72.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.397 -0.814 . . . . 0.0 110.55 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -24.82 67.35 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.399 -0.813 . . . . 0.0 110.653 179.807 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -76.78 -34.66 57.98 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.188 -0.945 . . . . 0.0 110.341 179.667 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.97 -42.4 69.76 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.857 . . . . 0.0 110.149 179.759 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -49.05 9.58 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.552 -0.717 . . . . 0.0 110.15 179.817 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 56.61 32.45 20.98 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.716 -0.615 . . . . 0.0 111.361 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 pt -146.28 69.51 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.32 -0.863 . . . . 0.0 109.726 179.286 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -81.54 124.29 80.18 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 121.341 -0.849 . . . . 0.0 110.407 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -76.24 154.72 36.95 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 O-C-N 123.86 1.453 . . . . 0.0 110.545 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -89.76 0.78 56.79 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.577 -0.702 . . . . 0.0 111.083 179.823 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.2 ttt -100.95 -49.14 4.21 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.109 -0.995 . . . . 0.0 110.22 179.902 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.259 179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 121.116 0.484 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -133.7 133.55 41.99 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.379 -0.826 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -68.95 -32.42 72.01 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.548 -0.72 . . . . 0.0 110.653 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -53.84 -47.65 70.74 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.427 -0.796 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.08 -44.49 74.9 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.552 -0.718 . . . . 0.0 110.296 179.707 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.92 -38.71 92.08 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.5 -0.75 . . . . 0.0 110.079 179.465 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 4' ' ' ALA . 29.1 mt -71.09 -36.85 64.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.54 -0.725 . . . . 0.0 110.12 179.593 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -54.02 -45.8 71.65 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.43 -0.794 . . . . 0.0 110.554 179.899 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -84.37 -37.0 22.08 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.394 -0.816 . . . . 0.0 110.21 179.436 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.23 -36.53 93.55 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 109.944 -1.263 . . . . 0.0 109.944 179.692 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -59.71 -38.16 80.87 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.436 -1.037 . . . . 0.0 110.676 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -54.39 -42.25 70.18 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.504 -0.748 . . . . 0.0 110.286 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mp -88.3 -38.27 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.463 -0.773 . . . . 0.0 109.791 179.476 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 11' ' ' GLN . . . -61.8 -43.72 98.29 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.515 -0.741 . . . . 0.0 111.09 -179.848 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 11' ' ' GLN . 2.8 tt0 -55.03 -45.54 75.19 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.288 -0.882 . . . . 0.0 110.573 -179.803 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -42.12 95.27 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.413 -0.804 . . . . 0.0 110.069 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.5 mt -69.13 -39.38 78.93 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.483 -0.761 . . . . 0.0 110.403 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.553 ' HA ' HG22 ' A' ' 21' ' ' ILE . 5.0 tmtt? -64.37 -36.21 83.39 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.626 -0.671 . . . . 0.0 110.456 179.755 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 t -64.96 -37.44 87.64 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.196 -0.94 . . . . 0.0 109.662 179.4 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -79.17 -40.47 30.79 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.69 -0.631 . . . . 0.0 110.312 179.643 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 18' ' ' LYS . 1.3 tp -67.38 -31.5 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.379 -0.825 . . . . 0.0 110.953 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -65.56 -48.02 73.83 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.34 -0.85 . . . . 0.0 109.789 179.627 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.73 -41.31 93.82 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.394 -1.483 . . . . 0.0 109.394 179.379 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.31 -40.24 93.53 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.461 -1.023 . . . . 0.0 110.137 179.601 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.56 -41.07 98.69 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.458 -0.776 . . . . 0.0 110.245 179.655 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -61.05 -43.58 98.68 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.377 -0.827 . . . . 0.0 109.455 179.339 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.16 -36.21 74.56 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 0.0 109.88 179.055 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.82 -35.52 69.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.672 -0.643 . . . . 0.0 110.292 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 m -58.23 -45.62 87.4 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.697 -0.627 . . . . 0.0 110.194 179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -47.26 50.79 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.57 -0.706 . . . . 0.0 109.871 179.589 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -57.53 -35.0 69.72 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.59 -0.694 . . . . 0.0 110.324 179.432 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.96 98.92 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.424 -0.798 . . . . 0.0 110.248 179.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -71.06 -25.49 62.66 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.284 -0.885 . . . . 0.0 110.576 179.623 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -72.76 -27.88 62.29 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.249 -0.907 . . . . 0.0 110.75 179.868 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 35' ' ' ILE . 9.6 tt -106.44 44.16 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.214 -0.929 . . . . 0.0 110.786 -179.82 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -117.12 114.93 38.64 Favored Pre-proline 0 N--CA 1.495 1.809 0 O-C-N 121.013 -1.054 . . . . 0.0 110.228 179.74 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -73.78 142.26 31.76 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 O-C-N 123.787 1.414 . . . . 0.0 110.469 179.79 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.28 -44.64 5.87 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.594 -0.691 . . . . 0.0 110.349 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.9 -36.94 24.89 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.443 -0.786 . . . . 0.0 110.361 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.858 0 O-C-N 121.492 -0.755 . . . . 0.0 110.103 179.89 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 121.112 0.482 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.96 173.28 14.48 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.391 -0.818 . . . . 0.0 110.407 179.823 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -106.89 -50.6 3.07 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.498 -0.751 . . . . 0.0 110.66 -179.705 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.78 -49.25 18.68 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.422 -0.799 . . . . 0.0 110.677 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.39 -27.85 66.36 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.412 -0.805 . . . . 0.0 110.769 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.05 -38.72 62.69 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.577 -0.702 . . . . 0.0 110.789 179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt -79.36 -48.96 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.299 -0.876 . . . . 0.0 110.015 179.84 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.33 -53.65 49.27 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.536 -0.727 . . . . 0.0 110.533 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.544 ' O ' HD12 ' A' ' 13' ' ' ILE . 9.3 mt-10 -67.47 -36.93 82.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.414 -0.804 . . . . 0.0 109.955 179.508 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 14' ' ' ALA . . . -53.04 -44.82 62.7 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 179.37 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -40.75 73.97 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.497 -1.002 . . . . 0.0 109.541 178.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -44.14 96.86 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.576 -0.702 . . . . 0.0 110.254 179.543 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.544 HD12 ' O ' ' A' ' 9' ' ' GLU . 1.3 mp -79.68 -31.92 14.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.431 -0.793 . . . . 0.0 110.254 179.693 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 10' ' ' GLY . . . -52.07 -54.44 30.2 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.354 -0.841 . . . . 0.0 110.454 179.867 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -66.57 -32.64 74.11 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.466 -0.771 . . . . 0.0 110.259 179.484 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.82 -27.96 69.53 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.354 -0.841 . . . . 0.0 109.792 178.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mp -80.12 -24.9 40.18 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.469 -0.769 . . . . 0.0 110.14 179.34 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -62.04 -44.53 96.49 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.486 -0.759 . . . . 0.0 110.063 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.3 p -67.57 -35.78 79.66 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.476 -0.765 . . . . 0.0 109.88 179.413 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.13 -41.74 93.29 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.548 -0.72 . . . . 0.0 109.848 179.349 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 mm -68.68 -32.4 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.623 -0.673 . . . . 0.0 109.591 179.268 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -46.59 89.28 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.672 -0.642 . . . . 0.0 109.626 179.12 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.45 -40.86 98.08 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 179.034 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.53 -42.3 98.43 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.626 -0.926 . . . . 0.0 109.699 179.157 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.94 -36.89 84.91 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.596 -0.69 . . . . 0.0 110.12 179.403 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -34.38 77.84 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.448 -0.782 . . . . 0.0 110.016 179.407 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -68.43 -33.12 73.64 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.314 -0.866 . . . . 0.0 109.824 179.152 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.27 -4.06 58.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.672 -0.643 . . . . 0.0 111.112 179.576 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.3 p -66.39 -30.86 71.33 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.175 -0.953 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 30' ' ' LYS . 1.4 tppp? -59.03 -41.68 88.38 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.346 -0.846 . . . . 0.0 110.42 179.848 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.54 -40.16 88.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.448 -0.783 . . . . 0.0 109.824 179.345 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.16 77.89 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.489 -0.757 . . . . 0.0 110.02 179.265 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -37.86 81.61 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.319 -0.863 . . . . 0.0 109.791 179.173 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.67 -35.79 67.77 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.576 -0.702 . . . . 0.0 110.482 179.738 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' ILE . 3.5 tt -146.14 77.6 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.376 -0.828 . . . . 0.0 109.779 179.806 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.01 143.73 61.26 Favored Pre-proline 0 N--CA 1.499 1.977 0 O-C-N 121.498 -0.751 . . . . 0.0 110.729 -179.5 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -73.99 -171.66 0.94 Allowed 'Trans proline' 0 N--CA 1.488 1.188 0 O-C-N 123.933 1.491 . . . . 0.0 110.808 179.808 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.86 -21.97 43.46 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.212 -0.93 . . . . 0.0 111.059 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.3 mtp -88.45 -38.84 14.69 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.195 -0.941 . . . . 0.0 110.721 -179.82 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.55 -179.939 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.131 0.491 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.41 122.02 32.91 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.355 -0.84 . . . . 0.0 110.196 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -101.25 -32.8 10.33 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.479 -0.763 . . . . 0.0 110.436 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.75 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -68.18 -42.54 79.82 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.382 -0.824 . . . . 0.0 109.806 179.438 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.24 -37.5 23.51 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.726 -0.609 . . . . 0.0 110.728 179.689 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -67.33 -44.72 78.4 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.479 -0.763 . . . . 0.0 110.196 179.643 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 4' ' ' ALA . 15.5 mt -60.36 -46.59 94.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.514 -0.741 . . . . 0.0 109.985 179.74 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.72 -49.18 78.57 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.614 -0.679 . . . . 0.0 110.159 179.555 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.93 -38.31 90.62 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.477 -0.765 . . . . 0.0 110.077 179.494 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.72 -37.14 94.26 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.514 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.33 -41.45 84.6 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.444 -1.033 . . . . 0.0 110.02 179.564 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -44.55 66.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.495 -0.753 . . . . 0.0 109.968 179.479 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 mm -65.02 -39.81 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.565 -0.709 . . . . 0.0 109.742 179.427 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.29 95.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.562 -0.711 . . . . 0.0 110.154 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -70.11 -33.73 72.22 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.42 -0.8 . . . . 0.0 110.198 179.603 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -35.07 68.78 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.38 -0.825 . . . . 0.0 109.702 179.125 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.98 -26.49 23.78 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.577 -0.702 . . . . 0.0 110.274 179.087 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -51.79 64.26 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.596 -0.69 . . . . 0.0 110.389 179.853 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.4 m -64.98 -34.93 79.61 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.423 -0.798 . . . . 0.0 110.264 179.664 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -63.34 -40.21 96.69 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.483 -0.761 . . . . 0.0 110.141 179.502 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.1 mt -65.91 -39.9 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.507 -0.746 . . . . 0.0 109.605 179.467 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -71.08 -40.48 71.54 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.747 -0.596 . . . . 0.0 109.614 179.238 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.52 -44.84 96.42 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 179.272 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -58.17 -44.69 88.1 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.475 -1.015 . . . . 0.0 109.775 179.266 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.13 -42.7 88.75 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.608 -0.683 . . . . 0.0 109.475 178.913 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -67.36 -31.45 71.72 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.733 -0.604 . . . . 0.0 110.091 179.558 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -59.02 -45.2 91.29 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.325 -0.86 . . . . 0.0 109.741 179.482 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.82 -45.54 92.06 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.673 -0.642 . . . . 0.0 109.712 178.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 t -68.2 -35.27 77.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.823 -0.548 . . . . 0.0 109.897 179.091 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -56.59 -43.34 79.97 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.597 -0.689 . . . . 0.0 110.252 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -73.7 -32.32 63.87 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.514 -0.742 . . . . 0.0 110.19 179.536 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.07 -33.09 61.65 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.443 -0.785 . . . . 0.0 110.489 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -86.44 -31.79 21.21 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.239 -0.913 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 t70 56.58 67.41 1.0 Allowed 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.608 -0.682 . . . . 0.0 110.432 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.6 tt -132.65 27.96 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.291 -0.88 . . . . 0.0 110.788 -179.926 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -116.12 88.55 22.64 Favored Pre-proline 0 N--CA 1.496 1.838 0 O-C-N 121.118 -0.989 . . . . 0.0 110.06 179.571 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -76.42 79.85 2.89 Favored 'Trans proline' 0 C--N 1.315 -1.228 0 O-C-N 123.929 1.489 . . . . 0.0 110.495 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.61 -34.39 15.49 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.377 -0.827 . . . . 0.0 110.703 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 30.5 ttp -89.97 -56.54 3.19 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.384 -0.823 . . . . 0.0 110.438 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 . . . . . 0 N--CA 1.5 2.065 0 CA-C-O 118.316 -0.85 . . . . 0.0 110.764 -179.797 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 120.991 0.424 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -137.87 154.02 49.51 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.462 -0.774 . . . . 0.0 110.385 -179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.493 ' HG2' ' N ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -64.15 -26.56 68.58 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.509 -0.745 . . . . 0.0 110.259 179.468 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' N ' ' HG2' ' A' ' 3' ' ' ARG . . . -76.94 -40.93 45.29 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.406 -0.808 . . . . 0.0 109.521 179.059 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.52 -23.97 66.31 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.643 -0.661 . . . . 0.0 110.406 179.368 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.98 -41.64 83.41 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.4 -0.813 . . . . 0.0 110.246 179.552 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.6 mt -63.65 -45.65 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.406 -0.809 . . . . 0.0 109.368 179.345 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -64.56 -38.51 91.25 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.615 -0.678 . . . . 0.0 109.656 179.013 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -59.65 -37.65 79.27 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.644 -0.66 . . . . 0.0 110.407 179.453 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.21 93.07 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.68 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -43.82 94.79 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.56 -0.965 . . . . 0.0 109.357 179.167 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -43.27 97.27 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.694 -0.629 . . . . 0.0 109.377 178.782 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.45 -41.52 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.639 -0.663 . . . . 0.0 109.505 179.228 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.19 -39.28 66.48 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.597 -0.689 . . . . 0.0 110.234 179.444 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -69.69 -42.07 74.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.383 -0.823 . . . . 0.0 109.69 179.226 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 8.2 ttt -64.04 -30.6 71.66 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.527 -0.733 . . . . 0.0 110.243 179.306 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD23 HD11 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -56.52 -32.29 64.94 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.645 -0.66 . . . . 0.0 110.312 179.514 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 21' ' ' ILE . 10.3 tttt -57.19 -40.62 77.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.662 -0.649 . . . . 0.0 109.836 179.15 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -62.16 -40.89 97.52 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.542 -0.724 . . . . 0.0 110.013 179.327 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -62.29 -41.5 98.54 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.498 -0.751 . . . . 0.0 109.951 179.467 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.635 HD11 HD23 ' A' ' 17' ' ' LEU . 43.4 mt -62.43 -37.31 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.573 -0.705 . . . . 0.0 109.624 179.325 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -65.38 -39.37 92.16 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.659 -0.65 . . . . 0.0 109.7 179.148 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.54 -42.62 99.8 Favored Glycine 0 N--CA 1.496 2.691 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 179.124 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.38 -37.49 85.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.602 -0.94 . . . . 0.0 109.519 178.996 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.19 -40.19 93.89 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.687 -0.633 . . . . 0.0 109.874 179.203 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -39.81 95.82 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.629 -0.67 . . . . 0.0 110.037 179.524 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -32.64 74.41 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.456 -0.778 . . . . 0.0 110.097 179.325 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.15 -19.06 51.96 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.563 -0.71 . . . . 0.0 110.367 179.156 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 t -73.39 -11.2 60.39 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.475 -0.766 . . . . 0.0 111.006 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -49.65 -37.27 27.64 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.384 -0.823 . . . . 0.0 110.613 179.762 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -43.01 74.76 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.577 -0.702 . . . . 0.0 110.501 179.677 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.9 -29.81 28.94 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.398 -0.813 . . . . 0.0 110.268 179.403 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -25.4 63.64 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.557 -0.715 . . . . 0.0 110.673 179.643 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.53 -42.68 61.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.5 -0.75 . . . . 0.0 110.959 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 pt -118.71 14.37 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.378 -0.826 . . . . 0.0 111.154 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -138.95 133.19 16.31 Favored Pre-proline 0 N--CA 1.496 1.87 0 O-C-N 121.132 -0.98 . . . . 0.0 110.152 179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -72.61 134.6 22.51 Favored 'Trans proline' 0 C--N 1.312 -1.347 0 O-C-N 123.749 1.394 . . . . 0.0 110.433 179.782 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.56 -47.97 5.44 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.478 -0.764 . . . . 0.0 110.362 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 43.0 mtm -72.96 -33.56 65.95 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.504 -0.747 . . . . 0.0 110.292 179.744 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.209 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 120.983 0.421 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.6 155.39 45.75 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.497 -0.752 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -96.91 -52.46 3.87 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.48 -0.763 . . . . 0.0 109.845 179.681 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.771 ' HA ' HD12 ' A' ' 7' ' ' ILE . . . -63.29 -28.98 70.38 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.621 -0.675 . . . . 0.0 110.641 179.751 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.9 -40.75 70.12 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.486 -0.759 . . . . 0.0 110.638 179.746 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -43.97 97.62 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.406 -0.809 . . . . 0.0 110.087 179.625 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 4' ' ' ALA . 6.2 mt -63.95 -39.6 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.608 -0.682 . . . . 0.0 110.031 179.835 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.42 -39.24 93.95 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.416 -0.802 . . . . 0.0 110.152 179.631 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -63.24 -39.42 94.57 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.296 -0.878 . . . . 0.0 109.813 179.437 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.22 -29.9 76.3 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 179.003 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -62.74 -53.58 52.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.476 -1.014 . . . . 0.0 109.862 179.562 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 13' ' ' ILE . 8.4 ptp180 -68.64 -30.83 69.63 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.393 -0.817 . . . . 0.0 110.398 179.593 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.458 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 46.0 mt -70.84 -42.63 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.17 -0.957 . . . . 0.0 109.332 179.032 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.93 -37.76 79.1 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.575 -0.703 . . . . 0.0 110.388 179.426 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.46 -42.85 92.96 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.396 -0.815 . . . . 0.0 110.173 179.738 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -34.44 67.95 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.5 -0.75 . . . . 0.0 110.16 179.458 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.03 -27.42 66.91 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.502 -0.749 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HA ' HD12 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -54.37 -49.68 69.27 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.511 -0.743 . . . . 0.0 110.562 -179.948 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -61.26 -36.86 81.17 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.438 -0.789 . . . . 0.0 110.171 179.684 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -38.2 85.28 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.54 -0.725 . . . . 0.0 110.254 179.534 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 18' ' ' LYS . 25.1 mt -64.95 -38.94 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.528 -0.733 . . . . 0.0 110.087 179.75 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -65.17 -45.7 83.81 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.68 -0.637 . . . . 0.0 109.971 179.673 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.12 -42.84 97.9 Favored Glycine 0 N--CA 1.495 2.593 0 N-CA-C 108.935 -1.666 . . . . 0.0 108.935 179.083 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.94 -38.29 90.54 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.645 -0.915 . . . . 0.0 109.682 179.068 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -62.11 -38.8 90.26 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.545 -0.722 . . . . 0.0 109.983 179.3 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -60.66 -42.84 97.82 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.463 -0.773 . . . . 0.0 109.674 179.367 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -77.14 -40.84 44.15 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.44 -0.788 . . . . 0.0 110.03 179.378 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.39 -33.6 72.71 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.691 -0.631 . . . . 0.0 110.528 179.63 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.7 m -59.7 -38.89 82.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.574 -0.704 . . . . 0.0 110.09 179.507 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.04 -38.28 53.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.499 -0.751 . . . . 0.0 109.881 179.334 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -33.47 75.61 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.57 -0.706 . . . . 0.0 110.035 179.552 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.29 -3.08 31.29 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.43 -0.794 . . . . 0.0 111.194 179.651 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -91.92 1.94 56.86 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.09 -1.006 . . . . 0.0 111.389 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.01 51.79 0.48 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.976 -1.077 . . . . 0.0 110.747 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.416 HD12 ' C ' ' A' ' 35' ' ' ILE . 1.8 pp -131.49 32.63 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.193 -0.942 . . . . 0.0 110.732 179.528 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.98 91.75 36.96 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.175 -0.953 . . . . 0.0 110.09 179.78 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -74.17 95.88 0.93 Allowed 'Trans proline' 0 C--N 1.313 -1.319 0 O-C-N 123.873 1.459 . . . . 0.0 110.704 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -75.36 -47.85 25.72 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.361 -0.837 . . . . 0.0 110.127 179.718 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.1 mtt -101.27 -47.79 4.6 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.439 -0.788 . . . . 0.0 109.956 179.664 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 . . . . . 0 N--CA 1.496 1.873 0 CA-C-O 117.85 -1.071 . . . . 0.0 110.122 179.774 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 CA-C-O 121.103 0.477 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.09 135.68 37.75 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.426 -0.796 . . . . 0.0 110.181 179.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 mtt85 -104.7 -47.44 4.06 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.445 -0.784 . . . . 0.0 110.755 -179.726 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.74 -45.24 74.1 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.762 . . . . 0.0 110.776 -179.851 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.91 90.51 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.453 -0.779 . . . . 0.0 110.348 179.728 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 tp -63.18 -34.41 77.57 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.545 -0.722 . . . . 0.0 110.283 179.487 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 mt -81.77 -37.75 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 121.388 -0.82 . . . . 0.0 109.591 179.422 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.24 -49.26 72.44 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.791 -0.568 . . . . 0.0 111.061 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 10' ' ' GLY . 14.8 pt-20 -60.88 -35.74 77.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.202 -0.936 . . . . 0.0 110.296 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' N ' ' HG3' ' A' ' 9' ' ' GLU . . . -77.62 -35.38 36.56 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.307 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -45.41 74.71 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.582 -0.952 . . . . 0.0 110.293 179.804 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -59.82 -36.4 76.73 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.612 -0.68 . . . . 0.0 110.335 179.718 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.44 -42.63 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.465 -0.772 . . . . 0.0 110.035 179.827 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.96 95.99 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.603 -0.686 . . . . 0.0 111.158 -179.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.14 -52.05 67.37 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.408 -0.807 . . . . 0.0 110.399 -179.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.4 ttm -67.63 -36.08 80.13 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.479 -0.763 . . . . 0.0 110.312 179.777 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' ' 21' ' ' ILE . 21.8 tp -69.56 -33.96 73.5 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.404 -0.81 . . . . 0.0 110.665 179.849 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -51.42 -49.65 61.21 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.596 -0.69 . . . . 0.0 110.38 -179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.9 t -61.86 -38.45 88.32 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.592 -0.693 . . . . 0.0 109.995 179.417 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -66.46 -42.03 88.16 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.602 -0.686 . . . . 0.0 110.13 179.495 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 17' ' ' LEU . 46.3 mm -66.55 -33.52 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.552 -0.717 . . . . 0.0 110.05 179.569 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -58.65 -49.23 78.3 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.541 -0.724 . . . . 0.0 109.492 179.323 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.56 -44.47 63.86 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 179.088 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -44.4 87.79 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.528 -0.984 . . . . 0.0 110.17 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 tt -59.96 -44.47 94.41 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.623 -0.673 . . . . 0.0 109.979 179.424 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.28 -43.75 80.99 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.452 -0.78 . . . . 0.0 109.874 179.476 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.67 -38.02 89.55 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.525 -0.734 . . . . 0.0 110.066 179.368 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.44 -30.95 71.8 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.695 -0.628 . . . . 0.0 110.336 179.364 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -59.22 -48.98 79.61 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.617 -0.677 . . . . 0.0 109.997 179.536 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -77.68 -31.08 52.28 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.519 -0.738 . . . . 0.0 110.202 179.392 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -69.98 -28.87 65.89 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.048 -1.032 . . . . 0.0 110.315 179.437 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.49 -43.19 10.41 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.405 -0.809 . . . . 0.0 110.737 179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' O ' ' CB ' ' A' ' 34' ' ' ASP . 2.4 mp0 -96.3 -52.22 4.08 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.309 -0.87 . . . . 0.0 110.449 -179.727 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' GLN . 0.4 OUTLIER 73.08 -50.57 0.7 Allowed 'General case' 0 N--CA 1.507 2.393 0 O-C-N 122.018 -0.426 . . . . 0.0 111.133 179.928 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 35' ' ' ILE . 9.4 tt -149.43 69.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.388 -0.82 . . . . 0.0 109.932 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.1 139.03 34.49 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 121.181 -0.949 . . . . 0.0 110.442 -179.874 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -82.06 29.96 0.53 Allowed 'Trans proline' 0 C--N 1.314 -1.262 0 O-C-N 123.847 1.446 . . . . 0.0 111.208 179.551 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.97 20.74 16.65 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.106 -0.996 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.0 ptp -93.06 -27.1 17.18 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.121 -0.987 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.251 -0.906 . . . . 0.0 110.506 179.937 . . . . . . . . 1 1 . 1 stop_ save_