data_2ktn_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 2ktn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.767 0.318 . . . . 74.450000000000003 110.881 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -49.88 -48.67 51.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.319999999999993 110.886 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 98.3 m -123.82 -14.79 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 70.230000000000004 110.882 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.466 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 1.2 ttt -129.3 111.97 18.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 72.439999999999998 110.901 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.75 -12.04 32.09 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 75.450000000000003 112.341 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -74.07 10.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.120000000000005 110.848 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 71.019999999999996 110.877 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.728 0.299 . . . . 73.209999999999994 110.885 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -50.1 -48.94 53.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 71.019999999999996 110.922 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.7 m -123.83 -14.84 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 74.540000000000006 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.482 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 3.3 ttm -128.35 113.18 19.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 71.120000000000005 110.841 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.79 -14.07 35.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.268 . . . . 65.329999999999998 112.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -78.63 26.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.893 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.458 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 62.009999999999998 110.853 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.796 0.331 . . . . 71.109999999999999 110.903 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -50.17 -48.83 53.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 72.450000000000003 110.912 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.4 m -123.52 -15.38 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 71.430000000000007 110.888 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.492 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -128.26 113.53 19.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.562 0.696 . . . . 71.340000000000003 110.862 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.1 Cg_endo -69.77 -14.15 35.65 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.721 2.281 . . . . 71.329999999999998 112.35 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -78.68 27.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 110.883 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 64.420000000000002 110.856 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.738 0.304 . . . . 71.310000000000002 110.866 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.45 -48.93 47.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.926 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.0 m -125.06 -13.68 6.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 72.150000000000006 110.876 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.468 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -127.66 112.07 20.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.697 . . . . 74.530000000000001 110.908 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.76 -15.21 36.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 74.519999999999996 112.367 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.1 t -79.25 26.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.150000000000006 110.876 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 65.430000000000007 110.889 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.746 0.308 . . . . 64.540000000000006 110.891 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -50.04 -48.9 52.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 61.109999999999999 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 93.7 m -123.89 -15.16 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 75.430000000000007 110.836 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.488 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 6.3 tpp -128.07 113.33 20.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.69 . . . . 74.340000000000003 110.877 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.73 -14.24 35.88 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.258 . . . . 73.239999999999995 112.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -78.6 27.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 110.856 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 75.230000000000004 110.893 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.704 0.287 . . . . 73.519999999999996 110.888 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.09 -48.81 53.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 74.329999999999998 110.859 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.6 m -123.61 -15.43 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.310000000000002 110.905 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 5.2 mtt -128.21 113.6 19.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 75.430000000000007 110.879 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.5 Cg_endo -69.77 -14.15 35.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.661 2.241 . . . . 62.439999999999998 112.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -78.73 28.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.299999999999997 110.844 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 65.109999999999999 110.873 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.775 0.321 . . . . 74.329999999999998 110.896 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -50.21 -48.75 54.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 74.540000000000006 110.874 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.0 m -123.48 -15.63 7.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 110.917 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.488 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -128.1 113.57 20.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.525 0.679 . . . . 75.200000000000003 110.88 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.8 Cg_endo -69.79 -14.14 35.59 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.684 2.256 . . . . 75.530000000000001 112.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -78.73 28.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.450000000000003 110.864 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.230000000000004 110.868 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.742 0.306 . . . . 75.310000000000002 110.877 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -50.09 -48.67 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.914 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.7 m -123.96 -15.49 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 63.109999999999999 110.839 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.487 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 4.6 mmt -127.96 113.77 20.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 71.340000000000003 110.864 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.74 -14.16 35.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 74.019999999999996 112.323 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 t -78.6 28.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 54.409999999999997 110.864 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 42.119999999999997 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.737 0.303 . . . . 75.140000000000001 110.894 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -49.77 -48.74 50.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 71.030000000000001 110.886 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.1 m -123.99 -14.94 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 72.340000000000003 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.1 mpt? -127.9 113.03 20.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.589 0.709 . . . . 74.109999999999999 110.826 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.447 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.3 Cg_endo -69.82 -15.03 36.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.622 2.215 . . . . 71.430000000000007 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 t -79.08 27.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 71.200000000000003 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.447 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 74.219999999999999 110.875 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.741 0.305 . . . . 73.519999999999996 110.891 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.82 -48.75 50.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 65.510000000000005 110.888 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.0 m -125.1 -14.28 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 50.219999999999999 110.86 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.3 mtp -127.92 113.63 20.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 73.129999999999995 110.903 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.72 -13.25 34.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 62.219999999999999 112.367 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -78.81 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 63.329999999999998 110.889 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 71.230000000000004 110.847 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.781 0.324 . . . . 74.530000000000001 110.906 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -50.2 -48.6 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 74.519999999999996 110.861 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.6 m -124.99 -13.98 6.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.430000000000007 110.887 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -128.34 113.66 19.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.544 0.688 . . . . 74.230000000000004 110.885 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.452 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.79 -13.47 34.64 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 2.275 . . . . 70.530000000000001 112.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.46 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 2.8 t -78.88 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 64.430000000000007 110.855 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.452 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 72.239999999999995 110.841 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.74 0.305 . . . . 74.430000000000007 110.874 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.91 -48.76 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.5 m -125.1 -14.01 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 53.539999999999999 110.881 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 17.3 mmm -128.13 113.54 20.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.531 0.682 . . . . 73.340000000000003 110.855 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.77 -13.31 34.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 55.109999999999999 112.377 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -78.82 27.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 65.519999999999996 110.853 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 73.349999999999994 110.856 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.751 0.31 . . . . 75.319999999999993 110.915 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -50.13 -48.89 53.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.430000000000007 110.848 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.72 -15.18 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.299999999999997 110.886 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.49 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 7.6 tpp -128.16 113.53 20.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.709 . . . . 70.109999999999999 110.905 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.8 Cg_endo -69.77 -14.04 35.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.685 2.257 . . . . 75.219999999999999 112.35 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -78.75 28.01 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 75.430000000000007 110.907 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 65.530000000000001 110.894 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.74 0.305 . . . . 74.310000000000002 110.871 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -50.12 -48.91 53.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 73.430000000000007 110.905 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.5 m -123.54 -15.52 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 71.329999999999998 110.865 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -128.0 113.4 20.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.526 0.679 . . . . 72.010000000000005 110.917 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.72 -14.36 36.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 72.409999999999997 112.371 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.64 27.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 65.349999999999994 110.83 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 72.530000000000001 110.824 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.762 0.315 . . . . 71.219999999999999 110.904 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -50.01 -48.88 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 64.450000000000003 110.89 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.0 m -124.03 -15.07 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 73.099999999999994 110.855 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 5.8 mmt -128.11 113.44 20.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 72.230000000000004 110.846 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.69 -14.03 35.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.264 . . . . 72.040000000000006 112.346 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -78.7 27.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.340000000000003 110.864 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 61.340000000000003 110.918 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.739 0.304 . . . . 72.340000000000003 110.872 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.08 -48.85 52.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 70.120000000000005 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.2 m -123.31 -15.65 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 51.5 110.908 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.488 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -128.11 113.56 20.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.558 0.694 . . . . 75.530000000000001 110.885 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.2 Cg_endo -69.81 -14.27 35.71 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.707 2.271 . . . . 72.109999999999999 112.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -78.9 28.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 64.400000000000006 110.894 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 74.209999999999994 110.92 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.792 0.33 . . . . 72.239999999999995 110.911 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.93 -48.9 51.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 73.239999999999995 110.917 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.2 m -123.8 -15.21 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 70.5 110.89 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.485 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.0 ttp -128.07 113.22 20.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 74.519999999999996 110.896 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.45 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.72 -14.14 35.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 63.240000000000002 112.362 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -78.55 27.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 60.329999999999998 110.875 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 74.239999999999995 110.852 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 28' ' ' MET . 1.3 mttt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.751 0.31 . . . . 75.010000000000005 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -50.14 -48.87 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.885 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.1 m -123.29 -15.79 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 74.239999999999995 110.871 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.491 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 4.0 mtp -128.09 113.43 20.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 72.420000000000002 110.88 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.0 Cg_endo -69.8 -14.43 35.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 72.510000000000005 112.299 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -78.72 27.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 74.109999999999999 110.846 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 63.43 110.889 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.781 0.324 . . . . 74.349999999999994 110.935 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -49.95 -48.81 51.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 74.140000000000001 110.88 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.2 m -124.93 -14.14 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.209999999999994 110.839 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 8.0 tpp -128.08 113.09 20.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 74.420000000000002 110.907 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.454 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.1 Cg_endo -69.68 -13.82 35.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 63.140000000000001 112.398 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 t -78.65 27.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.855 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.129999999999995 110.898 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.757 0.313 . . . . 71.540000000000006 110.931 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.22 -48.89 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 72.510000000000005 110.901 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.9 m -125.09 -13.42 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 72.040000000000006 110.842 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.8 mtp -128.54 113.83 19.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.521 0.676 . . . . 73.099999999999994 110.909 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.78 -13.03 34.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.28 . . . . 75.340000000000003 112.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -79.02 28.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 73.310000000000002 110.842 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 75.120000000000005 110.879 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 pt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.719 0.295 . . . . 74.430000000000007 111.121 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.49 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.3 mp -30.82 129.07 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 74.219999999999999 110.885 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.573 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.573 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 3' ' ' DBB . 86.1 m -76.59 -69.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.76 -0.655 . . . . 73.150000000000006 110.893 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.89 -0.16 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.239999999999995 111.144 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mm -84.74 -37.86 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 74.450000000000003 111.107 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.52 ' C ' ' SG ' ' A' ' 21' ' ' CYS . 1.7 tt -83.83 34.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.101 0.477 . . . . 75.099999999999994 110.917 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' CD ' ' HB3' ' A' ' 17' ' ' ASN . 1.6 ptmm? 173.93 130.19 0.11 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.528 0.68 . . . . 71.430000000000007 110.915 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.492 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 53.5 Cg_endo -69.78 148.37 64.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 65.049999999999997 112.303 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER 44.63 -164.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 74.239999999999995 110.9 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.86 92.92 1.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 64.310000000000002 112.499 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -122.3 18.78 10.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 73.340000000000003 110.883 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.46 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 16.6 t-20 -179.5 -80.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.329999999999998 110.9 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.33 17.15 7.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 74.430000000000007 112.492 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.493 ' CD2' ' CD1' ' A' ' 10' ' ' LEU . 4.8 t80 -54.96 -175.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 71.310000000000002 110.921 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.67 47.73 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 72.040000000000006 110.921 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.52 ' SG ' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.15 -164.78 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 74.349999999999994 110.916 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -130.48 145.44 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 74.319999999999993 111.121 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.751 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.6 OUTLIER -23.81 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 74.450000000000003 110.881 -179.099 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.751 ' N ' ' O ' ' A' ' 24' ' ' DBB . 7.2 mt-10 -49.88 -48.67 51.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.319999999999993 110.886 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' DBB . 98.3 m -123.82 -14.79 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 70.230000000000004 110.882 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.466 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 1.2 ttt -129.3 111.97 18.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 72.439999999999998 110.901 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.75 -12.04 32.09 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 75.450000000000003 112.341 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -74.07 10.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.120000000000005 110.848 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -79.99 127.13 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 71.019999999999996 110.877 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 72.519999999999996 110.904 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.686 0.279 . . . . 54.43 111.133 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.492 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.5 mp -30.61 129.63 0.11 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.379 -0.373 . . . . 75.200000000000003 110.945 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.419 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.419 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.5 m -63.94 -58.57 6.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.665 . . . . 73.519999999999996 110.915 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.79 -5.62 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 71.010000000000005 111.072 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mt -96.31 -47.61 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 74.349999999999994 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 tp -96.55 21.0 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.921 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 2.2 ptmm? -150.09 80.99 7.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 74.109999999999999 110.899 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 150.2 68.02 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.69 2.26 . . . . 73.129999999999995 112.373 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 pp -83.8 165.79 18.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 74.239999999999995 110.921 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.54 5.25 85.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 75.120000000000005 112.488 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' CG ' ' N ' ' A' ' 17' ' ' ASN . 5.0 t-20 -171.69 164.04 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 74.140000000000001 110.853 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 16' ' ' ASN . 48.0 t30 -54.43 178.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 73.019999999999996 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 12' ' ' LYS . . . 125.23 87.55 0.71 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 71.400000000000006 112.522 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.564 ' CE2' HD11 ' A' ' 20' ' ' LEU . 3.5 t80 -76.98 -166.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 73.140000000000001 110.909 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.564 HD11 ' CE2' ' A' ' 19' ' ' TYR . 5.4 mp -44.97 157.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 73.219999999999999 110.915 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -167.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 72.129999999999995 110.861 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 t -128.74 146.34 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 75.400000000000006 111.147 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.755 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.4 OUTLIER -23.7 -35.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 73.209999999999994 110.885 -179.129 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.755 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.2 mt-10 -50.1 -48.94 53.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 71.019999999999996 110.922 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' DBB . 95.7 m -123.83 -14.84 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 74.540000000000006 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.482 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 3.3 ttm -128.35 113.18 19.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 71.120000000000005 110.841 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.458 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.79 -14.07 35.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.268 . . . . 65.329999999999998 112.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -78.63 26.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.893 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.458 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -92.91 177.66 6.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 62.009999999999998 110.853 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.219999999999999 110.867 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.459 ' O1 ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.516 ' N ' ' CD1' ' A' ' 2' ' ' ILE . 1.3 mm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.699 0.285 . . . . 75.120000000000005 111.102 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.488 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' A' ' 3' ' ' DBB . 4.0 mp -30.7 130.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.399 . . . . 72.319999999999993 110.919 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.574 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.574 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 6.9 p -74.77 -46.72 35.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.773 -0.649 . . . . 73.129999999999995 110.87 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.503 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . -77.97 1.87 19.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 111.125 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 5' ' ' DHA . 5.4 mt -96.33 -47.07 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 75.230000000000004 111.119 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -96.23 23.25 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 73.299999999999997 110.911 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -59.11 156.24 28.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 74.340000000000003 110.843 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -163.7 0.11 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.715 2.276 . . . . 71.219999999999999 112.346 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -57.22 -163.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 74.5 110.929 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.43 178.03 31.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 71.230000000000004 112.475 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 46.27 -164.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 71.510000000000005 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -44.95 -70.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 74.200000000000003 110.891 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.53 9.34 21.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 63.439999999999998 112.481 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.13 -175.13 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 74.239999999999995 110.908 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -68.33 175.6 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 63.299999999999997 110.908 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -166.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 51.399999999999999 110.884 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -128.53 145.84 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 62.25 111.133 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.76 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.1 OUTLIER -23.58 -35.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 71.109999999999999 110.903 -179.104 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.76 ' N ' ' O ' ' A' ' 24' ' ' DBB . 8.7 mt-10 -50.17 -48.83 53.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 72.450000000000003 110.912 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' DBB . 87.4 m -123.52 -15.38 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 71.430000000000007 110.888 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.492 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -128.26 113.53 19.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.562 0.696 . . . . 71.340000000000003 110.862 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.1 Cg_endo -69.77 -14.15 35.65 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.721 2.281 . . . . 71.329999999999998 112.35 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -78.68 27.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 110.883 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.1 133.96 37.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 64.420000000000002 110.856 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 75.329999999999998 110.896 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.716 0.293 . . . . 65.439999999999998 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.494 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' C ' ' O ' ' A' ' 3' ' ' DBB . 11.2 mp -30.69 129.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.373 -0.376 . . . . 52.119999999999997 110.914 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.5 ' O ' ' CD1' ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.456 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -56.98 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.726 -0.67 . . . . 75.129999999999995 110.893 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' C ' ' OE2' ' A' ' 26' ' ' GLU . . . -68.23 -2.12 7.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 75.230000000000004 111.052 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 5' ' ' DHA . 3.3 mt -85.15 -33.04 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 75.219999999999999 111.099 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.493 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 7.7 tp -90.22 40.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 75.040000000000006 110.897 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . 0.487 ' C ' ' CD ' ' A' ' 13' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.586 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 8.0 pttm -124.89 45.14 1.24 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 73.409999999999997 110.911 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.71 -163.83 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.27 . . . . 75.299999999999997 112.298 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -131.02 177.18 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 110.894 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.16 -131.39 10.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 71.349999999999994 112.513 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -54.07 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 73.319999999999993 110.888 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.675 ' N ' HD21 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -52.25 165.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 75.329999999999998 110.893 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.8 87.45 0.73 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 72.420000000000002 112.498 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -162.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.914 0.388 . . . . 74.420000000000002 110.938 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.45 178.18 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 72.049999999999997 110.937 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -91.74 -167.82 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.430000000000007 110.863 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 21' ' ' CYS . 4.6 t -129.28 144.95 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 73.420000000000002 111.141 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.769 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -22.99 -36.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 71.310000000000002 110.866 -179.09 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.769 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.0 mt-10 -49.45 -48.93 47.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 24' ' ' DBB . 87.0 m -125.06 -13.68 6.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 72.150000000000006 110.876 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.468 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -127.66 112.07 20.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.697 . . . . 74.530000000000001 110.908 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.444 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.76 -15.21 36.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 74.519999999999996 112.367 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.1 t -79.25 26.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.150000000000006 110.876 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -91.0 40.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 65.430000000000007 110.889 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.2 p30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 75.239999999999995 110.943 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.672 0.272 . . . . 74.010000000000005 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.493 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.493 ' C ' ' O ' ' A' ' 3' ' ' DBB . 7.0 mp -30.7 129.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 73.340000000000003 110.897 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.0 m -62.38 -59.79 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.764 -0.653 . . . . 74.209999999999994 110.89 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.59 2.41 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 72.219999999999999 111.073 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mt -96.25 -47.45 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 75.230000000000004 111.13 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 tp -96.56 21.32 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 75.420000000000002 110.851 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -137.1 156.38 75.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.569 0.7 . . . . 75.230000000000004 110.893 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -175.31 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 73.129999999999995 112.348 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' CD1' ' H ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -79.51 -163.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 73.239999999999995 110.937 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' H ' ' CD1' ' A' ' 14' ' ' LEU . . . 85.96 123.8 1.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 71.349999999999994 112.433 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER 44.45 95.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 60.399999999999999 110.891 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 17' ' ' ASN . 4.2 p30 53.42 -177.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 73.519999999999996 110.93 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.87 87.43 0.33 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 65.439999999999998 112.501 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -106.04 -169.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 74.409999999999997 110.904 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 tp -45.26 144.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 74.310000000000002 110.895 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -165.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 62.030000000000001 110.899 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -128.45 145.79 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 74.430000000000007 111.176 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.762 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -23.51 -35.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.327 -0.397 . . . . 64.540000000000006 110.891 -179.113 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.762 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.5 mt-10 -50.04 -48.9 52.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 61.109999999999999 110.877 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' DBB . 93.7 m -123.89 -15.16 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 75.430000000000007 110.836 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.488 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 6.3 tpp -128.07 113.33 20.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.69 . . . . 74.340000000000003 110.877 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.73 -14.24 35.88 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.258 . . . . 73.239999999999995 112.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -78.6 27.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 110.856 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.74 112.56 24.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 75.230000000000004 110.893 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.0 p30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.0 110.875 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 mm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.708 0.29 . . . . 64.420000000000002 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.484 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 3' ' ' DBB . 8.1 mp -30.7 132.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 70.209999999999994 110.908 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.456 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.456 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 p -64.11 -19.63 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 65.030000000000001 110.879 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.94 -5.59 37.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 74.450000000000003 111.105 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 mt -96.46 -47.62 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 65.349999999999994 111.149 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tp -96.64 19.66 12.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 110.925 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' DAL . 12.9 ptmt 34.34 80.96 0.25 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 74.099999999999994 110.927 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 150.84 68.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.654 2.236 . . . . 73.150000000000006 112.324 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.95 -174.75 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 75.299999999999997 110.86 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.48 -106.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 63.43 112.423 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 18' ' ' GLY . 4.9 p-10 -54.76 -166.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 75.120000000000005 110.904 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.532 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 1.2 t30 49.89 -85.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.239999999999995 110.882 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.532 ' N ' ' CG ' ' A' ' 17' ' ' ASN . . . 82.25 35.58 20.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 51.210000000000001 112.521 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.459 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 7.6 t80 -58.26 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 74.420000000000002 110.94 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 20' ' ' LEU . 2.7 mm? -63.08 172.17 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 75.109999999999999 110.884 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 -166.68 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 65.329999999999998 110.912 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.9 t -128.65 147.28 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 73.150000000000006 111.087 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.758 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.2 OUTLIER -23.83 -35.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 73.519999999999996 110.888 -179.107 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.3 mt-10 -50.09 -48.81 53.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 74.329999999999998 110.859 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 24' ' ' DBB . 87.6 m -123.61 -15.43 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.310000000000002 110.905 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 5.2 mtt -128.21 113.6 19.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 75.430000000000007 110.879 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.5 Cg_endo -69.77 -14.15 35.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.661 2.241 . . . . 62.439999999999998 112.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -78.73 28.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.299999999999997 110.844 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.94 118.79 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 65.109999999999999 110.873 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 72.219999999999999 110.895 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.438 ' N ' HD11 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.738 0.304 . . . . 74.049999999999997 111.127 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.481 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.5 mp -30.72 129.61 0.12 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.314 -0.403 . . . . 64.150000000000006 110.908 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.456 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.456 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.5 m -64.7 -58.6 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.783 -0.644 . . . . 73.230000000000004 110.875 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.35 -5.07 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 62.219999999999999 111.087 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 mt -96.42 -47.71 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 73.319999999999993 111.151 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.65 18.91 13.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 72.099999999999994 110.915 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' DAL . 0.1 OUTLIER -34.08 142.08 0.22 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.709 . . . . 75.439999999999998 110.944 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HG2' ' CB ' ' A' ' 16' ' ' ASN . 53.5 Cg_endo -69.76 -175.82 1.28 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.711 2.274 . . . . 73.239999999999995 112.35 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.41 150.72 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.409999999999997 110.974 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 44.9 49.98 8.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 72.340000000000003 112.499 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.4 ' CB ' ' HG2' ' A' ' 13' ' ' PRO . 12.1 p-10 -123.86 -166.37 1.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 70.219999999999999 110.911 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -80.42 14.8 1.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 63.539999999999999 110.861 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.2 13.82 22.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 75.310000000000002 112.492 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.86 -175.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.911 0.386 . . . . 71.439999999999998 110.953 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.4 mt -72.03 -174.58 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 73.049999999999997 110.877 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -165.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 63.439999999999998 110.866 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -128.42 145.67 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 75.329999999999998 111.121 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.76 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.3 OUTLIER -23.6 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.343 -0.389 . . . . 74.329999999999998 110.896 -179.142 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.76 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.0 mt-10 -50.21 -48.75 54.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 74.540000000000006 110.874 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' DBB . 86.0 m -123.48 -15.63 7.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 110.917 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.488 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -128.1 113.57 20.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.525 0.679 . . . . 75.200000000000003 110.88 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.8 Cg_endo -69.79 -14.14 35.59 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.684 2.256 . . . . 75.530000000000001 112.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -78.73 28.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.450000000000003 110.864 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.07 109.92 21.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.230000000000004 110.868 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 110.938 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.441 ' O1 ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.682 0.277 . . . . 72.230000000000004 111.095 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.484 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 3' ' ' DBB . 6.7 mp -30.66 130.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 74.409999999999997 110.904 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.56 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.56 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 3.7 p -81.13 -45.7 16.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.75 -0.659 . . . . 62.119999999999997 110.906 -178.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . -78.2 0.91 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 55.32 111.14 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 5' ' ' DHA . 6.3 mt -96.23 -47.4 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.340000000000003 111.174 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tp -96.53 21.63 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.209999999999994 110.956 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -139.38 152.77 69.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 75.329999999999998 110.925 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.497 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 53.2 Cg_endo -69.77 166.1 28.75 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.664 2.243 . . . . 73.329999999999998 112.32 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 13' ' ' PRO . 1.3 pt? 46.49 -173.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.310000000000002 110.931 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 16' ' ' ASN . . . 87.6 83.93 1.19 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.762 . . . . 73.340000000000003 112.466 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.709 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER 52.15 171.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 71.010000000000005 110.859 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.709 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 9.5 p30 -44.82 -27.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.349999999999994 110.928 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 17' ' ' ASN . . . 114.85 87.01 1.43 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.699 -0.763 . . . . 74.140000000000001 112.461 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -84.81 -174.29 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 72.019999999999996 110.912 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.43 132.6 29.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 75.310000000000002 110.912 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.19 -167.17 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 71.340000000000003 110.85 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -128.25 145.86 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.401 . . . . 73.549999999999997 111.124 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.75 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -23.92 -35.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 75.310000000000002 110.877 -179.118 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.75 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.1 mt-10 -50.09 -48.67 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.914 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' DBB . 91.7 m -123.96 -15.49 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 63.109999999999999 110.839 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.487 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 4.6 mmt -127.96 113.77 20.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 71.340000000000003 110.864 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.74 -14.16 35.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 74.019999999999996 112.323 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 t -78.6 28.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 54.409999999999997 110.864 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.56 164.56 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 42.119999999999997 110.885 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.9 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.694 0.283 . . . . 64.109999999999999 111.147 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.48 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 3' ' ' DBB . 0.6 OUTLIER -30.7 129.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 75.510000000000005 110.926 -179.064 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.416 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.416 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.0 m -61.76 -53.71 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.751 -0.658 . . . . 64.319999999999993 110.853 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.19 -1.41 7.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 74.510000000000005 111.086 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -96.46 -47.7 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 72.340000000000003 111.097 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tt -96.67 18.47 14.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.04 0.448 . . . . 74.099999999999994 110.922 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 pttm -100.64 144.68 28.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 75.299999999999997 110.91 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -173.48 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 74.099999999999994 112.391 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -97.18 -178.31 4.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 72.200000000000003 110.943 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.99 -140.81 15.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.726 . . . . 74.329999999999998 112.494 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 11.2 p-10 -93.91 67.11 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 73.319999999999993 110.911 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.454 ' C ' ' OD1' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -164.12 137.64 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 44.509999999999998 110.879 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.83 13.53 0.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.718 . . . . 72.150000000000006 112.515 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -67.38 -174.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 73.409999999999997 110.944 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.78 163.39 14.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 73.25 110.9 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.45 -166.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 71.239999999999995 110.883 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 21' ' ' CYS . 4.6 t -128.22 145.01 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 62.530000000000001 111.105 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.768 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.2 OUTLIER -23.08 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 75.140000000000001 110.894 -179.088 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.768 ' N ' ' O ' ' A' ' 24' ' ' DBB . 7.7 mt-10 -49.77 -48.74 50.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 71.030000000000001 110.886 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' DBB . 88.1 m -123.99 -14.94 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 72.340000000000003 110.905 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.1 mpt? -127.9 113.03 20.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.589 0.709 . . . . 74.109999999999999 110.826 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.447 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.3 Cg_endo -69.82 -15.03 36.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.622 2.215 . . . . 71.430000000000007 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 t -79.08 27.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 71.200000000000003 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.447 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -92.66 151.24 20.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 74.219999999999999 110.875 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 110.889 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.651 0.263 . . . . 73.150000000000006 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.472 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.8 mp -30.74 129.46 0.12 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.343 -0.39 . . . . 72.010000000000005 110.855 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.496 ' C ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.496 ' HG3' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.4 m -64.73 -61.05 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.717 -0.674 . . . . 73.409999999999997 110.832 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.56 2.71 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 74.099999999999994 111.062 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 5' ' ' DHA . 6.3 mt -96.27 -47.43 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 74.329999999999998 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.474 HD11 ' CD ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -96.53 17.42 16.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.010000000000005 110.919 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . 0.449 ' O ' ' SG ' ' A' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 pttm 169.47 63.96 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 74.519999999999996 110.886 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.474 ' CD ' HD11 ' A' ' 10' ' ' LEU . 53.8 Cg_endo -69.72 176.8 6.26 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 74.120000000000005 112.357 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 pp -81.07 165.38 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 73.319999999999993 110.86 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.49 -12.36 14.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 71.409999999999997 112.474 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -158.82 19.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 62.439999999999998 110.87 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -55.27 119.71 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 62.020000000000003 110.885 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.01 13.45 4.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 71.340000000000003 112.5 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.25 -175.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 75.200000000000003 110.883 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 tp -75.49 48.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 74.450000000000003 110.909 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -90.6 -165.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.430000000000007 110.884 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 21' ' ' CYS . 4.6 t -127.91 145.1 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 65.439999999999998 111.142 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.747 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -24.12 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.404 . . . . 73.519999999999996 110.891 -179.127 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.747 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.0 mt-10 -49.82 -48.75 50.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 65.510000000000005 110.888 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' DBB . 84.0 m -125.1 -14.28 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 50.219999999999999 110.86 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.3 mtp -127.92 113.63 20.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 73.129999999999995 110.903 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.72 -13.25 34.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 62.219999999999999 112.367 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -78.81 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 63.329999999999998 110.889 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.446 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -96.3 81.61 3.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 71.230000000000004 110.847 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 74.120000000000005 110.899 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.462 ' O1 ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.659 0.266 . . . . 75.349999999999994 111.153 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.487 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 3' ' ' DBB . 9.9 mp -30.7 129.64 0.12 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.321 -0.4 . . . . 64.239999999999995 110.936 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.472 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.472 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.9 m -64.2 -60.6 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.723 -0.671 . . . . 72.25 110.869 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.47 ' HB3' ' N ' ' A' ' 22' ' ' DBB . . . -62.67 -7.52 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 74.299999999999997 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.7 mt -95.96 -45.58 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 73.040000000000006 111.131 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.6 37.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.067 0.46 . . . . 75.239999999999995 110.929 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 170.77 142.91 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.692 . . . . 73.329999999999998 110.915 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.675 2.25 . . . . 72.329999999999998 112.363 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -90.86 -170.07 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 72.109999999999999 110.913 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.88 -118.33 4.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 75.519999999999996 112.422 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -73.64 63.18 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 74.450000000000003 110.914 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -54.62 149.34 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.896 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.4 5.7 2.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 73.239999999999995 112.471 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.01 -162.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 75.439999999999998 110.904 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mt -164.11 171.01 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 64.510000000000005 110.954 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -84.88 -174.75 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.25 110.847 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . 0.47 ' N ' ' HB3' ' A' ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.407 ' H ' ' CB ' ' A' ' 8' ' ' ALA . 4.7 t -145.12 146.27 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.4 . . . . 74.5 111.159 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.744 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -24.23 -35.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 74.530000000000001 110.906 -179.108 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.744 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.3 mt-10 -50.2 -48.6 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 74.519999999999996 110.861 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' DBB . 91.6 m -124.99 -13.98 6.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.430000000000007 110.887 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -128.34 113.66 19.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.544 0.688 . . . . 74.230000000000004 110.885 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.79 -13.47 34.64 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 2.275 . . . . 70.530000000000001 112.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.46 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 2.8 t -78.88 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 64.430000000000007 110.855 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.452 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -95.84 124.33 39.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 72.239999999999995 110.841 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.6 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.310000000000002 110.874 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.732 0.301 . . . . 72.510000000000005 111.077 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.497 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' A' ' 3' ' ' DBB . 0.5 OUTLIER -30.56 129.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.349 -0.387 . . . . 75.040000000000006 110.916 -179.091 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 1.4 p -72.74 -43.86 62.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 73.530000000000001 110.851 -178.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 20' ' ' LEU . . . -72.55 -8.71 56.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 111.08 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.44 ' O ' ' CD ' ' A' ' 26' ' ' GLU . 7.2 mt -95.38 -45.27 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 74.120000000000005 111.15 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -95.17 33.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 73.219999999999999 110.894 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . 0.568 ' HB2' ' CE1' ' A' ' 19' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 pttm 171.02 156.77 0.22 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 75.010000000000005 110.861 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 148.45 65.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.702 2.268 . . . . 72.310000000000002 112.367 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -163.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 73.219999999999999 110.925 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.48 10.41 2.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 72.530000000000001 112.469 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -157.65 18.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 73.510000000000005 110.878 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.31 97.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 70.510000000000005 110.909 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' TYR . . . 126.66 88.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 54.149999999999999 112.452 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 11' ' ' DAL . 0.2 OUTLIER -55.33 -163.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 73.340000000000003 110.932 -179.847 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -172.62 28.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 72.040000000000006 110.949 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.41 -164.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 72.540000000000006 110.918 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -130.85 144.87 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 72.5 111.143 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.738 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.4 OUTLIER -24.18 -35.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 74.430000000000007 110.874 -179.114 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.738 ' N ' ' O ' ' A' ' 24' ' ' DBB . 8.3 mt-10 -49.91 -48.76 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.430000000000007 110.87 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 24' ' ' DBB . 86.5 m -125.1 -14.01 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 53.539999999999999 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 17.3 mmm -128.13 113.54 20.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.531 0.682 . . . . 73.340000000000003 110.855 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.77 -13.31 34.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 55.109999999999999 112.377 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -78.82 27.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 65.519999999999996 110.853 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -95.73 110.47 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 73.349999999999994 110.856 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.7 p30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 72.230000000000004 110.856 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.648 0.261 . . . . 74.439999999999998 111.126 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.489 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' C ' ' O ' ' A' ' 3' ' ' DBB . 4.1 mp -30.62 130.03 0.11 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.307 -0.406 . . . . 73.140000000000001 110.932 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.55 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.55 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.493 ' SG ' ' CD1' ' A' ' 20' ' ' LEU . 9.1 p -76.43 7.12 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.732 -0.667 . . . . 75.310000000000002 110.873 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 20' ' ' LEU . . . -136.69 2.25 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 70.099999999999994 111.09 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mm -96.09 -47.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 74.430000000000007 111.123 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 tp -96.3 22.93 7.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 64.319999999999993 110.896 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 10.4 ptmm? -85.89 112.91 48.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.55 0.691 . . . . 74.540000000000006 110.88 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 148.98 65.91 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.675 2.25 . . . . 73.310000000000002 112.35 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.97 -163.68 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.120000000000005 110.929 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.42 -12.97 66.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 70.299999999999997 112.467 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.3 OUTLIER -151.85 19.6 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 71.239999999999995 110.857 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -55.16 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 64.239999999999995 110.894 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 131.64 9.47 2.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 63.43 112.493 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -111.5 -171.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 63.210000000000001 110.921 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' CD1' ' SG ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -74.16 165.46 25.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 74.420000000000002 110.896 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 -164.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.129999999999995 110.9 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -128.35 145.35 35.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 65.310000000000002 111.105 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.756 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.2 OUTLIER -23.67 -35.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 75.319999999999993 110.915 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.756 ' N ' ' O ' ' A' ' 24' ' ' DBB . 6.7 mt-10 -50.13 -48.89 53.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.430000000000007 110.848 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' DBB . 92.9 m -123.72 -15.18 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.299999999999997 110.886 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.49 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 7.6 tpp -128.16 113.53 20.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.709 . . . . 70.109999999999999 110.905 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.444 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.8 Cg_endo -69.77 -14.04 35.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.685 2.257 . . . . 75.219999999999999 112.35 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -78.75 28.01 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 75.430000000000007 110.907 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.444 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.51 113.63 25.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 65.530000000000001 110.894 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.230000000000004 110.9 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 pt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.719 0.295 . . . . 71.230000000000004 111.133 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.487 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 3' ' ' DBB . 3.5 mp -30.66 130.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 74.299999999999997 110.896 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 p -70.34 -26.16 63.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.708 -0.678 . . . . 74.150000000000006 110.889 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.53 -3.0 43.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 70.319999999999993 111.094 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.43 -47.73 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 74.120000000000005 111.174 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -96.66 19.71 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 74.420000000000002 110.932 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . 0.437 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 11' ' ' DAL . 15.2 pttp -35.06 143.13 0.24 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.516 0.674 . . . . 74.450000000000003 110.953 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -166.51 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.671 2.247 . . . . 64.409999999999997 112.366 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' CD2' ' H ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -88.44 -163.79 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 75.129999999999995 110.925 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 16' ' ' ASN . . . 74.2 48.17 15.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 73.439999999999998 112.479 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 18' ' ' GLY . 3.4 p-10 47.0 -166.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.362 . . . . 74.049999999999997 110.905 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.56 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 1.0 OUTLIER 50.61 -85.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 73.219999999999999 110.862 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.56 ' N ' ' CG ' ' A' ' 17' ' ' ASN . . . 115.48 86.91 1.37 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 62.25 112.526 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -67.92 -174.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.93 0.395 . . . . 73.310000000000002 110.882 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.9 tp -72.41 163.0 28.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 75.540000000000006 110.908 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.441 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.78 -166.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 74.530000000000001 110.891 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 21' ' ' CYS . 4.8 t -128.55 145.92 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 53.25 111.14 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.763 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -23.45 -35.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 74.310000000000002 110.871 -179.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.763 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.2 mt-10 -50.12 -48.91 53.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 73.430000000000007 110.905 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' DBB . 86.5 m -123.54 -15.52 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 71.329999999999998 110.865 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -128.0 113.4 20.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.526 0.679 . . . . 72.010000000000005 110.917 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.72 -14.36 36.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 72.409999999999997 112.371 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.64 27.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 65.349999999999994 110.83 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.88 152.89 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 72.530000000000001 110.824 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 72.530000000000001 110.857 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.63 0.252 . . . . 74.439999999999998 111.167 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.474 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.3 mp -30.71 129.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.361 -0.381 . . . . 71.25 110.891 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.434 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.434 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 3' ' ' DBB . 87.0 m -62.28 -54.28 42.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.722 -0.672 . . . . 54.299999999999997 110.856 -178.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -4.22 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 111.095 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.56 -47.89 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 73.129999999999995 111.109 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 9.6 tp -96.74 17.49 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 75.340000000000003 110.916 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . 0.424 ' O ' ' SG ' ' A' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -149.41 151.06 32.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 73.540000000000006 110.914 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.21 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.637 2.225 . . . . 74.040000000000006 112.334 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -81.58 -163.7 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 73.409999999999997 110.922 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.01 49.46 3.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 74.230000000000004 112.467 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -135.32 27.91 3.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 72.109999999999999 110.876 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -177.81 -84.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.230000000000004 110.929 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.84 13.56 34.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 74.129999999999995 112.454 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -82.85 -174.98 5.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 74.310000000000002 110.94 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.63 -165.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 75.239999999999995 110.957 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -85.62 -166.48 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 72.5 110.864 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -128.22 145.39 35.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 71.109999999999999 111.109 -179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.758 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.5 OUTLIER -23.68 -35.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.384 . . . . 71.219999999999999 110.904 -179.11 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 24' ' ' DBB . 6.7 mt-10 -50.01 -48.88 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 64.450000000000003 110.89 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' DBB . 95.0 m -124.03 -15.07 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 73.099999999999994 110.855 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 5.8 mmt -128.11 113.44 20.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 72.230000000000004 110.846 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.69 -14.03 35.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.264 . . . . 72.040000000000006 112.346 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -78.7 27.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.340000000000003 110.864 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.42 127.55 40.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 61.340000000000003 110.918 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.200000000000003 110.894 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.496 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 9.1 pt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.663 0.268 . . . . 73.420000000000002 111.107 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.491 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 3' ' ' DBB . 8.1 mp -30.62 129.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 64.230000000000004 110.927 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.487 ' C ' ' HG1' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.487 ' HG1' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 3' ' ' DBB . 92.1 m -68.96 -60.79 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.757 -0.656 . . . . 50.109999999999999 110.894 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.91 2.23 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 72.420000000000002 111.142 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mm -95.93 -47.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 70.540000000000006 111.092 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -96.33 22.34 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.072 0.463 . . . . 71.409999999999997 110.913 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -172.29 156.28 3.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.543 0.687 . . . . 74.349999999999994 110.859 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 149.52 67.23 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.705 2.27 . . . . 64.400000000000006 112.376 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 15' ' ' GLY . 1.1 pt? -152.38 -172.34 4.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 74.219999999999999 110.942 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' N ' ' HG ' ' A' ' 14' ' ' LEU . . . -127.62 -12.62 2.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.72 . . . . 74.219999999999999 112.53 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' C ' HD13 ' A' ' 14' ' ' LEU . 57.7 t-20 -133.93 79.4 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 73.430000000000007 110.891 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -44.93 131.04 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 72.129999999999995 110.877 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.79 -89.02 0.69 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 74.319999999999993 112.479 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -114.95 -169.7 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.908 0.385 . . . . 73.319999999999993 110.918 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 2' ' ' ILE . 6.3 mt -72.16 177.32 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 74.439999999999998 110.952 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 -166.78 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.399999999999999 110.868 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -128.39 145.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 75.140000000000001 111.121 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.763 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.1 OUTLIER -23.67 -35.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 72.340000000000003 110.872 -179.094 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.763 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.7 mt-10 -50.08 -48.85 52.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 70.120000000000005 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' DBB . 79.2 m -123.31 -15.65 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 51.5 110.908 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.488 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -128.11 113.56 20.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.558 0.694 . . . . 75.530000000000001 110.885 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.2 Cg_endo -69.81 -14.27 35.71 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.707 2.271 . . . . 72.109999999999999 112.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -78.9 28.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 64.400000000000006 110.894 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.81 91.21 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 74.209999999999994 110.92 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.030000000000001 110.902 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.448 ' O1 ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.7 0.286 . . . . 75.200000000000003 111.12 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' CD1' ' O1 ' ' A' ' 1' ' ' 2KT . 5.6 mp -88.51 129.69 35.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.29 -0.413 . . . . 72.310000000000002 110.927 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.448 ' C ' ' HG1' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.448 ' HG1' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 1.4 p -83.02 -44.45 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.722 -0.672 . . . . 74.319999999999993 110.87 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . -74.19 -4.21 34.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.11 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mt -96.24 -47.63 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 64.540000000000006 111.145 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.62 20.18 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 64.239999999999995 110.915 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . 0.516 ' C ' ' HD3' ' A' ' 13' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER 35.8 51.86 1.63 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 74.239999999999995 110.896 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.516 ' HD3' ' C ' ' A' ' 11' ' ' DAL . 53.8 Cg_endo -69.74 169.47 18.82 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.687 2.258 . . . . 72.030000000000001 112.318 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' ASN . 2.5 pt? -107.75 -166.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 74.120000000000005 110.896 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.91 84.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 62.009999999999998 112.478 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' A' ' 14' ' ' LEU . 53.4 t-20 -143.15 45.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 64.209999999999994 110.846 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER 66.41 -2.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 75.219999999999999 110.886 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 16' ' ' ASN . . . 78.76 13.68 82.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.78 -0.724 . . . . 74.409999999999997 112.515 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -58.73 -175.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.905 0.383 . . . . 75.420000000000002 110.897 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.04 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 64.430000000000007 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -165.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 65.530000000000001 110.911 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 HG13 ' ND2' ' A' ' 16' ' ' ASN . 4.7 t -128.29 145.52 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 74.230000000000004 111.113 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.758 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -23.63 -35.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.392 . . . . 72.239999999999995 110.911 -179.149 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.0 mt-10 -49.93 -48.9 51.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 73.239999999999995 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 24' ' ' DBB . 95.2 m -123.8 -15.21 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 70.5 110.89 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.485 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.0 ttp -128.07 113.22 20.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 74.519999999999996 110.896 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.45 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.72 -14.14 35.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 63.240000000000002 112.362 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -78.55 27.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 60.329999999999998 110.875 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.21 134.35 35.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 74.239999999999995 110.852 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 72.019999999999996 110.859 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . 0.482 ' O1 ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.691 0.282 . . . . 72.319999999999993 111.127 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.481 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' CD1' ' O1 ' ' A' ' 1' ' ' 2KT . 10.1 mp -30.63 129.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 74.340000000000003 110.927 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.438 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.438 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 98.6 m -67.33 -62.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.752 -0.658 . . . . 75.109999999999999 110.873 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.26 1.25 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.230000000000004 111.124 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mt -96.01 -46.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 111.115 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tp -96.26 23.8 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 74.439999999999998 110.93 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.74 143.78 0.44 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 75.340000000000003 110.885 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.449 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 53.5 Cg_endo -69.81 165.34 31.36 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 74.200000000000003 112.346 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 2.9 pp 42.16 -167.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.230000000000004 110.914 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' CD1' ' A' ' 14' ' ' LEU . . . 102.11 -163.1 17.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 43.240000000000002 112.474 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' GLY . 36.8 t-20 -96.01 109.64 22.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 73.400000000000006 110.865 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.555 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 0.3 OUTLIER 49.64 -85.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.200000000000003 110.857 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.554 ' N ' ' CG ' ' A' ' 17' ' ' ASN . . . 127.9 87.52 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 71.430000000000007 112.495 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -65.97 -173.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.901 0.382 . . . . 74.450000000000003 110.897 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 21' ' ' CYS . 1.7 tm? -68.89 126.28 29.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 73.340000000000003 110.949 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -85.79 -166.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 71.319999999999993 110.858 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -128.48 145.92 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 65.439999999999998 111.119 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.761 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' C ' ' O ' ' A' ' 24' ' ' DBB . 1.3 mttt -23.76 -35.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 75.010000000000005 110.878 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.761 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.9 mt-10 -50.14 -48.87 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 110.885 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' DBB . 80.1 m -123.29 -15.79 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 74.239999999999995 110.871 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.491 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 4.0 mtp -128.09 113.43 20.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 72.420000000000002 110.88 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.0 Cg_endo -69.8 -14.43 35.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 72.510000000000005 112.299 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -78.72 27.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 74.109999999999999 110.846 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.446 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -92.8 147.92 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 63.43 110.889 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 110.897 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 2' ' ' ILE . 1.1 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.7 0.286 . . . . 75.120000000000005 111.16 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.478 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.5 mp -30.73 129.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 75.129999999999995 110.874 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . 0.462 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . 0.462 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.7 m -58.88 -52.62 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 63.43 110.829 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.98 -8.08 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 64.030000000000001 111.092 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mt -98.1 -48.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 72.040000000000006 111.156 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' C ' ' SG ' ' A' ' 21' ' ' CYS . 1.0 OUTLIER -96.79 37.18 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.074 0.464 . . . . 74.310000000000002 110.916 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.87 130.17 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 74.420000000000002 110.934 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 165.72 30.06 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 74.219999999999999 112.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.71 -163.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.299999999999997 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 44.86 34.61 4.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 64.519999999999996 112.48 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.19 168.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 73.430000000000007 110.899 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.455 ' ND2' ' HB2' ' A' ' 19' ' ' TYR . 8.5 t30 179.49 -76.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.239999999999995 110.867 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.12 5.57 2.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 71.540000000000006 112.459 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.455 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . 3.8 t80 -75.83 -164.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.894 0.378 . . . . 71.129999999999995 110.931 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' HG ' ' N ' ' A' ' 21' ' ' CYS . 57.2 tp -164.08 168.7 18.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 74.239999999999995 110.88 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.481 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -84.37 -168.94 2.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 63.43 110.885 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 21' ' ' CYS . 21.9 t -135.13 149.18 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 73.219999999999999 111.159 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.747 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -24.12 -35.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.381 . . . . 74.349999999999994 110.935 -179.125 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.747 ' N ' ' O ' ' A' ' 24' ' ' DBB . 6.4 mt-10 -49.95 -48.81 51.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 74.140000000000001 110.88 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' DBB . 85.2 m -124.93 -14.14 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.209999999999994 110.839 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 8.0 tpp -128.08 113.09 20.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 74.420000000000002 110.907 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.454 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.1 Cg_endo -69.68 -13.82 35.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 63.140000000000001 112.398 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 t -78.65 27.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.855 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.9 87.97 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.129999999999995 110.898 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.129999999999995 110.86 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.665 0.269 . . . . 73.010000000000005 111.14 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' DBB . . . . . 0.475 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 3' ' ' DBB . 9.4 mp -30.78 129.41 0.12 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.269 -0.423 . . . . 74.329999999999998 110.93 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -59.93 -42.7 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.762 -0.653 . . . . 73.099999999999994 110.892 -178.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.4 -6.7 47.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 72.420000000000002 111.165 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -96.4 -47.62 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 111.182 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.473 HD22 ' CG ' ' A' ' 22' ' ' DBB . 0.3 OUTLIER -96.72 19.14 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 70.310000000000002 110.882 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' DAL . . . . . 0.524 ' C ' ' HG2' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.524 ' HG2' ' C ' ' A' ' 11' ' ' DAL . 0.2 OUTLIER 46.06 52.08 10.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 73.129999999999995 110.852 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 54.1 Cg_endo -69.77 -163.45 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 64.019999999999996 112.337 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CD1' ' H ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -59.47 -163.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 73.230000000000004 110.926 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' H ' ' CD1' ' A' ' 14' ' ' LEU . . . -114.79 -12.4 10.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 63.450000000000003 112.478 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -141.08 57.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 73.409999999999997 110.904 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -176.76 127.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 110.868 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.63 10.25 70.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 14.300000000000001 112.5 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.504 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 2.6 t80 -65.81 -174.71 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 71.549999999999997 110.879 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.504 ' HG ' ' CD2' ' A' ' 19' ' ' TYR . 4.1 pp -50.18 165.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 72.349999999999994 110.904 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 11' ' ' DAL . 0.1 OUTLIER -84.87 -169.03 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.859 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' DBB . . . . . 0.473 ' CG ' HD22 ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.5 t -145.28 144.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 75.219999999999999 111.18 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' DBB . . . . . 0.725 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.1 OUTLIER -25.11 -35.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.395 . . . . 71.540000000000006 110.931 -179.051 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.725 ' N ' ' O ' ' A' ' 24' ' ' DBB . 2.2 mt-10 -50.22 -48.89 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 72.510000000000005 110.901 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' DBB . 73.9 m -125.09 -13.42 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 72.040000000000006 110.842 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.8 mtp -128.54 113.83 19.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.521 0.676 . . . . 73.099999999999994 110.909 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.78 -13.03 34.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.28 . . . . 75.340000000000003 112.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -79.02 28.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 73.310000000000002 110.842 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.446 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -96.17 135.46 37.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 75.120000000000005 110.879 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 75.420000000000002 110.879 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.767 0.318 . . . . 63.2 110.881 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -49.88 -48.67 51.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.886 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 98.3 m -123.82 -14.79 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 70.23 110.882 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.47 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 1.2 ttt -129.3 111.97 18.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 45.14 110.901 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.04 32.09 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 51.03 112.341 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -74.07 10.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.848 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 71.02 110.877 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.728 0.299 . . . . 71.13 110.885 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -50.1 -48.94 53.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 43.21 110.922 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.7 m -123.83 -14.84 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 74.54 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 3.3 ttm -128.35 113.18 19.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 71.12 110.841 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.421 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.79 -14.07 35.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.268 . . . . 65.33 112.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -78.63 26.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.893 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 62.01 110.853 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.796 0.331 . . . . 63.41 110.903 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -50.17 -48.83 53.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.912 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.4 m -123.52 -15.38 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 71.43 110.888 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.497 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -128.26 113.53 19.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.562 0.696 . . . . 71.34 110.862 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.1 Cg_endo -69.77 -14.15 35.65 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.721 2.281 . . . . 71.33 112.35 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -78.68 27.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.883 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.41 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 64.42 110.856 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.738 0.304 . . . . 63.5 110.866 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.45 -48.93 47.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.926 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.0 m -125.06 -13.68 6.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 54.4 110.876 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -127.66 112.07 20.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.697 . . . . 74.53 110.908 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.76 -15.21 36.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 72.31 112.367 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.1 t -79.25 26.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.15 110.876 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 65.43 110.889 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.746 0.308 . . . . 62.2 110.891 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -50.04 -48.9 52.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 50.45 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 93.7 m -123.89 -15.16 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.836 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 6.3 tpp -128.07 113.33 20.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.69 . . . . 74.34 110.877 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.73 -14.24 35.88 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.258 . . . . 73.24 112.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -78.6 27.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 70.32 110.856 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.893 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.704 0.287 . . . . 73.31 110.888 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.09 -48.81 53.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 64.34 110.859 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.6 m -123.61 -15.43 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.905 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 5.2 mtt -128.21 113.6 19.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 74.02 110.879 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.5 Cg_endo -69.77 -14.15 35.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.661 2.241 . . . . 62.44 112.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -78.73 28.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.844 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 65.11 110.873 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.775 0.321 . . . . 72.4 110.896 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -50.21 -48.75 54.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.874 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.0 m -123.48 -15.63 7.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 41.2 110.917 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -128.1 113.57 20.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.525 0.679 . . . . 75.2 110.88 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.8 Cg_endo -69.79 -14.14 35.59 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.684 2.256 . . . . 75.53 112.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -78.73 28.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.864 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.23 110.868 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.742 0.306 . . . . 73.4 110.877 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -50.09 -48.67 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.914 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.7 m -123.96 -15.49 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 63.11 110.839 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 4.6 mmt -127.96 113.77 20.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 71.34 110.864 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.74 -14.16 35.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 43.3 112.323 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 t -78.6 28.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 44.42 110.864 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 42.12 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.737 0.303 . . . . 75.14 110.894 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -49.77 -48.74 50.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 71.03 110.886 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.1 m -123.99 -14.94 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 65.52 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.1 mpt? -127.9 113.03 20.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.589 0.709 . . . . 62.51 110.826 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.3 Cg_endo -69.82 -15.03 36.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.622 2.215 . . . . 71.43 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 t -79.08 27.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 74.22 110.875 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.741 0.305 . . . . 73.52 110.891 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.82 -48.75 50.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 65.12 110.888 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.0 m -125.1 -14.28 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 43.45 110.86 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.3 mtp -127.92 113.63 20.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 73.13 110.903 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.72 -13.25 34.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 62.22 112.367 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -78.81 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 63.33 110.889 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 71.23 110.847 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.781 0.324 . . . . 74.53 110.906 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -50.2 -48.6 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 73.05 110.861 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.6 m -124.99 -13.98 6.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.23 110.887 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.484 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -128.34 113.66 19.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.544 0.688 . . . . 74.23 110.885 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.79 -13.47 34.64 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 2.275 . . . . 70.53 112.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.46 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 2.8 t -78.88 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 60.21 110.855 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 65.23 110.841 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.74 0.305 . . . . 71.04 110.874 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.91 -48.76 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 61.43 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.5 m -125.1 -14.01 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 52.21 110.881 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.482 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 17.3 mmm -128.13 113.54 20.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.531 0.682 . . . . 64.42 110.855 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.77 -13.31 34.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 42.4 112.377 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -78.82 27.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 64.44 110.853 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 73.35 110.856 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.751 0.31 . . . . 75.32 110.915 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -50.13 -48.89 53.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.848 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.72 -15.18 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.886 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.496 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 7.6 tpp -128.16 113.53 20.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.709 . . . . 70.11 110.905 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.8 Cg_endo -69.77 -14.04 35.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.685 2.257 . . . . 75.22 112.35 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -78.75 28.01 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 61.24 110.907 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 65.53 110.894 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.74 0.305 . . . . 72.23 110.871 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -50.12 -48.91 53.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 73.43 110.905 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.5 m -123.54 -15.52 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 62.35 110.865 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -128.0 113.4 20.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.526 0.679 . . . . 71.12 110.917 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.72 -14.36 36.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 62.52 112.371 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.64 27.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 65.35 110.83 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 65.34 110.824 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.762 0.315 . . . . 43.4 110.904 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -50.01 -48.88 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 64.25 110.89 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.0 m -124.03 -15.07 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.855 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.494 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 5.8 mmt -128.11 113.44 20.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 72.23 110.846 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.69 -14.03 35.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.264 . . . . 70.04 112.346 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -78.7 27.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.864 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 61.34 110.918 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.739 0.304 . . . . 64.11 110.872 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.08 -48.85 52.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 70.12 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.2 m -123.31 -15.65 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 42.33 110.908 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -128.11 113.56 20.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.558 0.694 . . . . 75.53 110.885 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.2 Cg_endo -69.81 -14.27 35.71 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.707 2.271 . . . . 62.32 112.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -78.9 28.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 64.4 110.894 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 74.21 110.92 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.792 0.33 . . . . 72.24 110.911 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.93 -48.9 51.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.917 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.2 m -123.8 -15.21 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 70.5 110.89 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.0 ttp -128.07 113.22 20.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 71.1 110.896 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.72 -14.14 35.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 63.24 112.362 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -78.55 27.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 53.21 110.875 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.852 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 28' ' ' MET . 1.3 mttt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.751 0.31 . . . . 65.44 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -50.14 -48.87 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.885 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.1 m -123.29 -15.79 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 60.45 110.871 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.497 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 4.0 mtp -128.09 113.43 20.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 70.43 110.88 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.0 Cg_endo -69.8 -14.43 35.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 71.45 112.299 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -78.72 27.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 74.11 110.846 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 63.43 110.889 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.781 0.324 . . . . 62.53 110.935 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -49.95 -48.81 51.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 74.04 110.88 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.2 m -124.93 -14.14 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.839 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.479 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 8.0 tpp -128.08 113.09 20.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 74.42 110.907 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.1 Cg_endo -69.68 -13.82 35.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 62.14 112.398 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 t -78.65 27.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.855 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.898 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.757 0.313 . . . . 71.54 110.931 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.22 -48.89 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 72.51 110.901 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.9 m -125.09 -13.42 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 72.04 110.842 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.8 mtp -128.54 113.83 19.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.521 0.676 . . . . 61.43 110.909 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.78 -13.03 34.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.28 . . . . 74.32 112.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -79.02 28.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.3 110.842 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 53.44 110.879 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 pt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.719 0.295 . . . . 74.43 111.121 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.49 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.3 mp -30.82 129.07 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 61.2 110.885 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.777 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.777 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 3' ' ' DBB . 86.1 m -76.59 -69.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.76 -0.655 . . . . 54.02 110.893 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . -69.89 -0.16 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.24 111.144 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mm -84.74 -37.86 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 74.45 111.107 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.029 HD13 ' CD2' ' A' ' 19' ' ' TYR . 1.7 tt -83.83 34.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.101 0.477 . . . . 74.13 110.917 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 17' ' ' ASN . 1.6 ptmm? 173.93 130.19 0.11 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.528 0.68 . . . . 71.43 110.915 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.766 ' O ' HD23 ' A' ' 14' ' ' LEU . 53.5 Cg_endo -69.78 148.37 64.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 62.11 112.303 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.766 HD23 ' O ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER 44.63 -164.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.9 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.86 92.92 1.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 64.31 112.499 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -122.3 18.78 10.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 73.34 110.883 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.472 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 16.6 t-20 -179.5 -80.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 71.52 110.9 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.33 17.15 7.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 43.25 112.492 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.029 ' CD2' HD13 ' A' ' 10' ' ' LEU . 4.8 t80 -54.96 -175.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 60.12 110.921 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD22 ' SG ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -75.67 47.73 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 72.04 110.921 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.52 ' SG ' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.15 -164.78 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 74.35 110.916 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 4.8 t -130.48 145.44 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 74.32 111.121 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.751 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.6 OUTLIER -23.81 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 63.2 110.881 -179.099 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.751 ' N ' ' O ' ' A' ' 24' ' ' DBB . 7.2 mt-10 -49.88 -48.67 51.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.886 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' DBB . 98.3 m -123.82 -14.79 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 70.23 110.882 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.47 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 1.2 ttt -129.3 111.97 18.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 45.14 110.901 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.04 32.09 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 51.03 112.341 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -74.07 10.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.848 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' CB ' ' H ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -79.99 127.13 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 71.02 110.877 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 72.52 110.904 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.462 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.686 0.279 . . . . 45.14 111.133 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.492 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 4' ' ' LEU . 5.5 mp -30.61 129.63 0.11 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.379 -0.373 . . . . 75.2 110.945 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.47 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.47 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.5 m -63.94 -58.57 6.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.665 . . . . 73.52 110.915 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.79 -5.62 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 71.01 111.072 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mt -96.31 -47.61 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 70.45 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 11' ' ' DAL . 6.4 tp -96.55 21.0 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 71.13 110.921 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.422 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 2.2 ptmm? -150.09 80.99 7.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 72.54 110.899 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 150.2 68.02 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.69 2.26 . . . . 73.13 112.373 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 pp -83.8 165.79 18.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.921 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.54 5.25 85.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 75.12 112.488 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' CG ' ' N ' ' A' ' 17' ' ' ASN . 5.0 t-20 -171.69 164.04 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 63.54 110.853 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 16' ' ' ASN . 48.0 t30 -54.43 178.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 55.22 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 12' ' ' LYS . . . 125.23 87.55 0.71 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 63.01 112.522 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.572 ' CE2' HD13 ' A' ' 20' ' ' LEU . 3.5 t80 -76.98 -166.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 63.1 110.909 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.572 HD13 ' CE2' ' A' ' 19' ' ' TYR . 5.4 mp -44.97 157.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 63.42 110.915 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -167.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.861 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 t -128.74 146.34 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 73.05 111.147 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.755 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.4 OUTLIER -23.7 -35.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 71.13 110.885 -179.129 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.755 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.2 mt-10 -50.1 -48.94 53.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 43.21 110.922 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' DBB . 95.7 m -123.83 -14.84 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 74.54 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 3.3 ttm -128.35 113.18 19.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 71.12 110.841 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.421 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.79 -14.07 35.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.268 . . . . 65.33 112.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -78.63 26.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.893 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -92.91 177.66 6.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 62.01 110.853 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 63.1 110.867 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.526 ' H43' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.734 ' N ' HD13 ' A' ' 2' ' ' ILE . 1.3 mm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.699 0.285 . . . . 71.05 111.102 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.517 ' HG3' HG22 ' A' ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' A' ' 3' ' ' DBB . 4.0 mp -30.7 130.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.399 . . . . 72.32 110.919 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.789 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.789 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 6.9 p -74.77 -46.72 35.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.773 -0.649 . . . . 72.42 110.87 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.503 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . -77.97 1.87 19.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 65.34 111.125 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 5' ' ' DHA . 5.4 mt -96.33 -47.07 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.119 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -96.23 23.25 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 53.2 110.911 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.415 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -59.11 156.24 28.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 74.34 110.843 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -163.7 0.11 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.715 2.276 . . . . 71.22 112.346 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -57.22 -163.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.929 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.43 178.03 31.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 71.2 112.475 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 46.27 -164.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 63.15 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -44.95 -70.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.891 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.53 9.34 21.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 63.44 112.481 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.13 -175.13 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 73.22 110.908 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -68.33 175.6 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 63.3 110.908 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -166.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 51.4 110.884 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -128.53 145.84 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 62.25 111.133 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.76 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.1 OUTLIER -23.58 -35.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 63.41 110.903 -179.104 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.76 ' N ' ' O ' ' A' ' 24' ' ' DBB . 8.7 mt-10 -50.17 -48.83 53.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.912 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' DBB . 87.4 m -123.52 -15.38 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 71.43 110.888 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.497 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -128.26 113.53 19.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.562 0.696 . . . . 71.34 110.862 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.1 Cg_endo -69.77 -14.15 35.65 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.721 2.281 . . . . 71.33 112.35 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -78.68 27.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.883 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.41 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.1 133.96 37.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 64.42 110.856 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.896 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.716 0.293 . . . . 65.44 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.494 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' C ' ' O ' ' A' ' 3' ' ' DBB . 11.2 mp -30.69 129.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.373 -0.376 . . . . 52.12 110.914 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.665 ' O ' HD12 ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -56.98 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.726 -0.67 . . . . 75.13 110.893 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.715 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . . . -68.23 -2.12 7.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 75.23 111.052 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 5' ' ' DHA . 3.3 mt -85.15 -33.04 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.43 111.099 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.493 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 7.7 tp -90.22 40.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 71.4 110.897 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.487 ' C ' ' CD ' ' A' ' 13' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.586 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 8.0 pttm -124.89 45.14 1.24 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 72.15 110.911 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.71 -163.83 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.27 . . . . 75.3 112.298 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.637 ' H ' HD23 ' A' ' 14' ' ' LEU . 2.6 pt? -131.02 177.18 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 40.22 110.894 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.16 -131.39 10.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 71.35 112.513 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -54.07 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 73.32 110.888 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -52.25 165.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.8 87.45 0.73 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 72.42 112.498 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -162.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.914 0.388 . . . . 71.34 110.938 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.45 178.18 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 72.05 110.937 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.818 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -91.74 -167.82 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.863 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' DBB . . . . . 0.414 ' H1 ' ' HB3' ' A' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.6 t -129.28 144.95 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 70.11 111.141 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.769 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -22.99 -36.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 63.5 110.866 -179.09 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.769 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.0 mt-10 -49.45 -48.93 47.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' DBB . 87.0 m -125.06 -13.68 6.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 54.4 110.876 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -127.66 112.07 20.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.697 . . . . 74.53 110.908 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.76 -15.21 36.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 72.31 112.367 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.1 t -79.25 26.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.15 110.876 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -91.0 40.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 65.43 110.889 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.2 p30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.943 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.672 0.272 . . . . 71.24 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.493 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.493 ' C ' ' O ' ' A' ' 3' ' ' DBB . 7.0 mp -30.7 129.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 73.34 110.897 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.408 ' C ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.5 ' CG ' HD12 ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.493 ' HA ' ' HG2' ' A' ' 22' ' ' DBB . 75.0 m -62.38 -59.79 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.764 -0.653 . . . . 54.35 110.89 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.59 2.41 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 72.22 111.073 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.5 HD12 ' CG ' ' A' ' 6' ' ' DBU . 5.4 mt -96.25 -47.45 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 72.02 111.13 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 11' ' ' DAL . 9.9 tp -96.56 21.32 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.851 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.423 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -137.1 156.38 75.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.569 0.7 . . . . 70.41 110.893 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -175.31 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 71.12 112.348 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -79.51 -163.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.937 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' H ' HD12 ' A' ' 14' ' ' LEU . . . 85.96 123.8 1.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 51.53 112.433 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER 44.45 95.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 34.04 110.891 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 4.2 p30 53.42 -177.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.93 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.87 87.43 0.33 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 65.44 112.501 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -106.04 -169.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 74.41 110.904 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 tp -45.26 144.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.895 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.613 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -93.18 -165.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 50.23 110.899 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' DBB . . . . . 0.493 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.8 t -128.45 145.79 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 74.43 111.176 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.762 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -23.51 -35.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.327 -0.397 . . . . 62.2 110.891 -179.113 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.762 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.5 mt-10 -50.04 -48.9 52.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 50.45 110.877 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' DBB . 93.7 m -123.89 -15.16 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.836 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 6.3 tpp -128.07 113.33 20.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.69 . . . . 74.34 110.877 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.73 -14.24 35.88 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.258 . . . . 73.24 112.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -78.6 27.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 70.32 110.856 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.74 112.56 24.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.893 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.0 p30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.0 110.875 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.437 ' H31' HD22 ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.781 HG22 ' HG3' ' A' ' 3' ' ' DBB . 9.2 mm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.708 0.29 . . . . 60.44 111.119 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.781 ' HG3' HG22 ' A' ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 3' ' ' DBB . 8.1 mp -30.7 132.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 61.43 110.908 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.564 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.564 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 p -64.11 -19.63 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 62.3 110.879 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.94 -5.59 37.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 74.45 111.105 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 mt -96.46 -47.62 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 63.52 111.149 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 11' ' ' DAL . 7.6 tp -96.64 19.66 12.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.02 110.925 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' DAL . 12.9 ptmt 34.34 80.96 0.25 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 74.1 110.927 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 150.84 68.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.654 2.236 . . . . 72.53 112.324 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.649 HD11 HD22 ' A' ' 17' ' ' ASN . 0.2 OUTLIER -76.95 -174.75 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.86 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.48 -106.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 63.43 112.423 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 18' ' ' GLY . 4.9 p-10 -54.76 -166.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 75.12 110.904 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.649 HD22 HD11 ' A' ' 14' ' ' LEU . 1.2 t30 49.89 -85.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.882 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.532 ' N ' ' CG ' ' A' ' 17' ' ' ASN . . . 82.25 35.58 20.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 51.21 112.521 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.513 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 7.6 t80 -58.26 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 74.42 110.94 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.08 172.17 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.884 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.832 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -91.65 -166.68 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 65.33 110.912 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 21' ' ' CYS . 11.9 t -128.65 147.28 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 73.15 111.087 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.758 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.2 OUTLIER -23.83 -35.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 73.31 110.888 -179.107 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.3 mt-10 -50.09 -48.81 53.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 64.34 110.859 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' DBB . 87.6 m -123.61 -15.43 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.905 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 5.2 mtt -128.21 113.6 19.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 74.02 110.879 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.5 Cg_endo -69.77 -14.15 35.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.661 2.241 . . . . 62.44 112.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -78.73 28.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.844 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.94 118.79 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 65.11 110.873 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.895 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.46 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.738 0.304 . . . . 72.43 111.127 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.481 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.5 mp -30.72 129.61 0.12 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.314 -0.403 . . . . 64.03 110.908 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.482 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.482 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.5 m -64.7 -58.6 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.783 -0.644 . . . . 43.3 110.875 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.35 -5.07 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 62.22 111.087 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 mt -96.42 -47.71 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 35.42 111.151 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.65 18.91 13.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 63.01 110.915 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' DAL . 0.1 OUTLIER -34.08 142.08 0.22 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.709 . . . . 75.44 110.944 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' HG2' ' CB ' ' A' ' 16' ' ' ASN . 53.5 Cg_endo -69.76 -175.82 1.28 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.711 2.274 . . . . 73.24 112.35 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.678 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -92.41 150.72 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.974 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 44.9 49.98 8.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 71.32 112.499 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' CB ' ' HG2' ' A' ' 13' ' ' PRO . 12.1 p-10 -123.86 -166.37 1.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 61.33 110.911 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -80.42 14.8 1.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 63.54 110.861 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.2 13.82 22.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 75.31 112.492 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.86 -175.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.911 0.386 . . . . 71.44 110.953 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.4 mt -72.03 -174.58 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 70.3 110.877 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -165.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 61.23 110.866 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -128.42 145.67 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 63.04 111.121 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.76 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.3 OUTLIER -23.6 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.343 -0.389 . . . . 72.4 110.896 -179.142 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.76 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.0 mt-10 -50.21 -48.75 54.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.874 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' DBB . 86.0 m -123.48 -15.63 7.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 41.2 110.917 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -128.1 113.57 20.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.525 0.679 . . . . 75.2 110.88 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.8 Cg_endo -69.79 -14.14 35.59 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.684 2.256 . . . . 75.53 112.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -78.73 28.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.864 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.07 109.92 21.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.23 110.868 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.938 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.441 ' O1 ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.557 HG12 ' HG3' ' A' ' 3' ' ' DBB . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.682 0.277 . . . . 71.12 111.095 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.557 ' HG3' HG12 ' A' ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 4' ' ' LEU . 6.7 mp -30.66 130.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 71.35 110.904 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.736 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.736 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 3.7 p -81.13 -45.7 16.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.75 -0.659 . . . . 61.32 110.906 -178.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . -78.2 0.91 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 55.32 111.14 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 5' ' ' DHA . 6.3 mt -96.23 -47.4 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 64.24 111.174 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 10' ' ' LEU . 6.8 tp -96.53 21.63 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 63.14 110.956 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.413 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -139.38 152.77 69.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 62.31 110.925 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.843 ' C ' HD23 ' A' ' 14' ' ' LEU . 53.2 Cg_endo -69.77 166.1 28.75 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.664 2.243 . . . . 73.33 112.32 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.843 HD23 ' C ' ' A' ' 13' ' ' PRO . 1.3 pt? 46.49 -173.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.931 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 16' ' ' ASN . . . 87.6 83.93 1.19 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.762 . . . . 73.34 112.466 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.812 ' ND2' ' H ' ' A' ' 18' ' ' GLY . 0.4 OUTLIER 52.15 171.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 71.01 110.859 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.563 ' N ' ' CG ' ' A' ' 16' ' ' ASN . 9.5 p30 -44.82 -27.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.35 110.928 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.812 ' H ' ' ND2' ' A' ' 16' ' ' ASN . . . 114.85 87.01 1.43 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.699 -0.763 . . . . 70.45 112.461 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -84.81 -174.29 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 71.03 110.912 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.43 132.6 29.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 75.31 110.912 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.19 -167.17 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 64.34 110.85 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -128.25 145.86 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.401 . . . . 62.23 111.124 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.75 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -23.92 -35.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 73.4 110.877 -179.118 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.75 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.1 mt-10 -50.09 -48.67 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.914 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' DBB . 91.7 m -123.96 -15.49 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 63.11 110.839 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 4.6 mmt -127.96 113.77 20.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 71.34 110.864 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.74 -14.16 35.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 43.3 112.323 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 t -78.6 28.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 44.42 110.864 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.56 164.56 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 42.12 110.885 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.9 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.458 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.694 0.283 . . . . 64.11 111.147 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.48 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 3' ' ' DBB . 0.6 OUTLIER -30.7 129.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 75.25 110.926 -179.064 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.425 ' C ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.622 ' CB ' HD12 ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.0 m -61.76 -53.71 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.751 -0.658 . . . . 51.51 110.853 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.19 -1.41 7.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 74.51 111.086 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.622 HD12 ' CB ' ' A' ' 6' ' ' DBU . 7.8 mt -96.46 -47.7 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 72.22 111.097 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.4 tt -96.67 18.47 14.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.04 0.448 . . . . 74.1 110.922 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 pttm -100.64 144.68 28.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 62.34 110.91 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -173.48 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 74.1 112.391 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -97.18 -178.31 4.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 71.45 110.943 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.99 -140.81 15.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.726 . . . . 74.33 112.494 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 11.2 p-10 -93.91 67.11 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 73.32 110.911 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.454 ' OD1' ' C ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -164.12 137.64 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 44.51 110.879 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.83 13.53 0.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.718 . . . . 72.15 112.515 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -67.38 -174.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 73.41 110.944 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.78 163.39 14.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 71.34 110.9 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.84 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.45 -166.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 51.33 110.883 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.6 t -128.22 145.01 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 62.53 111.105 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.768 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.2 OUTLIER -23.08 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 75.14 110.894 -179.088 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.768 ' N ' ' O ' ' A' ' 24' ' ' DBB . 7.7 mt-10 -49.77 -48.74 50.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 71.03 110.886 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' DBB . 88.1 m -123.99 -14.94 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 65.52 110.905 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.1 mpt? -127.9 113.03 20.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.589 0.709 . . . . 62.51 110.826 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.3 Cg_endo -69.82 -15.03 36.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.622 2.215 . . . . 71.43 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 t -79.08 27.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -92.66 151.24 20.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 74.22 110.875 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.889 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.593 HD12 ' HE3' ' A' ' 25' ' ' LYS . 2.1 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.651 0.263 . . . . 44.14 111.168 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.472 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.8 mp -30.74 129.46 0.12 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.343 -0.39 . . . . 60.25 110.855 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.488 ' O ' ' CD1' ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.478 ' CG ' HD12 ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.4 m -64.73 -61.05 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.717 -0.674 . . . . 73.41 110.832 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.56 2.71 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 44.13 111.062 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 5' ' ' DHA . 6.3 mt -96.27 -47.43 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 62.05 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD13 ' CD ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -96.53 17.42 16.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.919 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.449 ' O ' ' SG ' ' A' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 pttm 169.47 63.96 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 71.53 110.886 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' CD ' HD13 ' A' ' 10' ' ' LEU . 53.8 Cg_endo -69.72 176.8 6.26 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 72.25 112.357 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 pp -81.07 165.38 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.34 110.86 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.49 -12.36 14.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 71.41 112.474 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -158.82 19.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 62.44 110.87 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -55.27 119.71 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 52.23 110.885 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.01 13.45 4.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 61.34 112.5 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.25 -175.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 65.33 110.883 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 tp -75.49 48.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 73.3 110.909 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.792 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.6 -165.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.884 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.6 t -127.91 145.1 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 64.41 111.142 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.747 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE3' HD12 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -24.12 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.404 . . . . 73.52 110.891 -179.127 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.747 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.0 mt-10 -49.82 -48.75 50.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 65.12 110.888 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' DBB . 84.0 m -125.1 -14.28 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 43.45 110.86 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.3 mtp -127.92 113.63 20.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 73.13 110.903 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.72 -13.25 34.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 62.22 112.367 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -78.81 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 63.33 110.889 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' CB ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.3 81.61 3.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 71.23 110.847 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 62.34 110.899 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.462 ' O1 ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.471 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.659 0.266 . . . . 70.45 111.153 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.487 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 3' ' ' DBB . 9.9 mp -30.7 129.64 0.12 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.321 -0.4 . . . . 61.44 110.936 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.516 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.516 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.9 m -64.2 -60.6 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.723 -0.671 . . . . 72.25 110.869 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.958 ' O ' ' HG3' ' A' ' 22' ' ' DBB . . . -62.67 -7.52 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 62.02 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.7 mt -95.96 -45.58 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 72.2 111.131 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.6 37.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.067 0.46 . . . . 64.12 110.929 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 170.77 142.91 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.692 . . . . 73.33 110.915 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.675 2.25 . . . . 72.33 112.363 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.761 ' H ' HD23 ' A' ' 14' ' ' LEU . 2.2 pt? -90.86 -170.07 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 70.53 110.913 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.88 -118.33 4.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 50.2 112.422 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -73.64 63.18 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 74.45 110.914 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -54.62 149.34 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.5 110.896 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.4 5.7 2.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 64.44 112.471 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.01 -162.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 70.13 110.904 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 20' ' ' LEU . 6.2 mt -164.11 171.01 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 43.1 110.954 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -84.88 -174.75 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.25 110.847 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' DBB . . . . . 0.958 ' HG3' ' O ' ' A' ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.7 t -145.12 146.27 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.4 . . . . 70.03 111.159 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.744 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -24.23 -35.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 74.53 110.906 -179.108 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.773 ' OE1' ' HB3' ' A' ' 8' ' ' ALA . 5.3 mt-10 -50.2 -48.6 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 73.05 110.861 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' DBB . 91.6 m -124.99 -13.98 6.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.23 110.887 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.484 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -128.34 113.66 19.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.544 0.688 . . . . 74.23 110.885 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.79 -13.47 34.64 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 2.275 . . . . 70.53 112.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.46 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 2.8 t -78.88 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 60.21 110.855 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' CB ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -95.84 124.33 39.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 65.23 110.841 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.6 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 61.01 110.874 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.732 0.301 . . . . 72.51 111.077 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.497 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' A' ' 3' ' ' DBB . 0.5 OUTLIER -30.56 129.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.349 -0.387 . . . . 75.04 110.916 -179.091 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 1.4 p -72.74 -43.86 62.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 73.53 110.851 -178.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.728 ' HB1' ' O ' ' A' ' 20' ' ' LEU . . . -72.55 -8.71 56.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.03 111.08 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.44 ' O ' ' CD ' ' A' ' 26' ' ' GLU . 7.2 mt -95.38 -45.27 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 70.11 111.15 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -95.17 33.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 64.32 110.894 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.548 ' HB1' ' CE1' ' A' ' 19' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 pttm 171.02 156.77 0.22 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 75.01 110.861 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 148.45 65.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.702 2.268 . . . . 72.31 112.367 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -163.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 54.43 110.925 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.48 10.41 2.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 53.31 112.469 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -157.65 18.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 52.22 110.878 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.31 97.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 70.51 110.909 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' TYR . . . 126.66 88.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 54.15 112.452 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.548 ' CE1' ' HB1' ' A' ' 11' ' ' DAL . 0.2 OUTLIER -55.33 -163.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 73.34 110.932 -179.847 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.728 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -172.62 28.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 71.13 110.949 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.41 -164.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 72.54 110.918 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -130.85 144.87 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 72.5 111.143 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.738 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.4 OUTLIER -24.18 -35.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 71.04 110.874 -179.114 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.738 ' N ' ' O ' ' A' ' 24' ' ' DBB . 8.3 mt-10 -49.91 -48.76 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 61.43 110.87 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 24' ' ' DBB . 86.5 m -125.1 -14.01 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 52.21 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.482 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 17.3 mmm -128.13 113.54 20.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.531 0.682 . . . . 64.42 110.855 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.77 -13.31 34.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 42.4 112.377 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -78.82 27.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 64.44 110.853 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -95.73 110.47 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 73.35 110.856 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.7 p30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.856 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.471 ' H31' HD13 ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.57 HG22 ' HG3' ' A' ' 3' ' ' DBB . 1.9 mp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.648 0.261 . . . . 71.41 111.126 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.57 ' HG3' HG22 ' A' ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' C ' ' O ' ' A' ' 3' ' ' DBB . 4.1 mp -30.62 130.03 0.11 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.307 -0.406 . . . . 71.11 110.932 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.782 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.782 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.493 ' SG ' ' CD1' ' A' ' 20' ' ' LEU . 9.1 p -76.43 7.12 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.732 -0.667 . . . . 75.31 110.873 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -136.69 2.25 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 70.1 111.09 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mm -96.09 -47.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.123 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 11' ' ' DAL . 3.5 tp -96.3 22.93 7.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.896 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.416 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 10.4 ptmm? -85.89 112.91 48.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.55 0.691 . . . . 74.24 110.88 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 148.98 65.91 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.675 2.25 . . . . 64.23 112.35 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.97 -163.68 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.929 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.42 -12.97 66.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 44.02 112.467 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.85 19.6 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 71.24 110.857 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -55.16 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.894 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 131.64 9.47 2.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 63.43 112.493 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -111.5 -171.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 63.21 110.921 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.83 HD13 ' HB2' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -74.16 165.46 25.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.896 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 -164.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.9 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -128.35 145.35 35.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 62.43 111.105 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.756 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.2 OUTLIER -23.67 -35.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 75.32 110.915 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.756 ' N ' ' O ' ' A' ' 24' ' ' DBB . 6.7 mt-10 -50.13 -48.89 53.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.848 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' DBB . 92.9 m -123.72 -15.18 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.886 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.496 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 7.6 tpp -128.16 113.53 20.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.709 . . . . 70.11 110.905 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.8 Cg_endo -69.77 -14.04 35.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.685 2.257 . . . . 75.22 112.35 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -78.75 28.01 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 61.24 110.907 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.51 113.63 25.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 65.53 110.894 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.9 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.404 HG13 ' HG3' ' A' ' 3' ' ' DBB . 5.1 pt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.719 0.295 . . . . 50.22 111.133 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.487 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 3' ' ' DBB . 3.5 mp -30.66 130.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 74.3 110.896 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.41 ' C ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.41 ' HG3' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 p -70.34 -26.16 63.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.708 -0.678 . . . . 74.15 110.889 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.53 -3.0 43.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 70.32 111.094 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.43 -47.73 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 72.12 111.174 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.709 HD22 ' OE1' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -96.66 19.71 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 60.13 110.932 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.437 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 11' ' ' DAL . 15.2 pttp -35.06 143.13 0.24 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.516 0.674 . . . . 64.02 110.953 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -166.51 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.671 2.247 . . . . 63.42 112.366 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.44 -163.79 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 72.33 110.925 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 16' ' ' ASN . . . 74.2 48.17 15.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 73.44 112.479 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 18' ' ' GLY . 3.4 p-10 47.0 -166.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.362 . . . . 72.14 110.905 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.56 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 1.0 OUTLIER 50.61 -85.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.862 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.56 ' N ' ' CG ' ' A' ' 17' ' ' ASN . . . 115.48 86.91 1.37 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 62.25 112.526 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -67.92 -174.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.93 0.395 . . . . 73.31 110.882 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.9 tp -72.41 163.0 28.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 75.54 110.908 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.858 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.78 -166.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 61.31 110.891 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.8 t -128.55 145.92 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 50.13 111.14 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.763 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -23.45 -35.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 72.23 110.871 -179.085 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.763 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.2 mt-10 -50.12 -48.91 53.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 73.43 110.905 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' DBB . 86.5 m -123.54 -15.52 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 62.35 110.865 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -128.0 113.4 20.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.526 0.679 . . . . 71.12 110.917 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.72 -14.36 36.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 62.52 112.371 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.64 27.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 65.35 110.83 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.88 152.89 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 65.34 110.824 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 72.53 110.857 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.592 ' O1 ' HD12 ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.451 HG22 ' HG3' ' A' ' 3' ' ' DBB . 1.1 mt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.63 0.252 . . . . 74.44 111.167 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.474 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.592 HD12 ' O1 ' ' A' ' 1' ' ' 2KT . 5.3 mp -30.71 129.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.361 -0.381 . . . . 64.12 110.891 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.471 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.471 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 3' ' ' DBB . 87.0 m -62.28 -54.28 42.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.722 -0.672 . . . . 54.3 110.856 -178.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -4.22 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 71.14 111.095 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.435 HD12 ' CB ' ' A' ' 6' ' ' DBU . 7.4 mt -96.56 -47.89 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.109 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 9.6 tp -96.74 17.49 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.916 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.424 ' O ' ' SG ' ' A' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -149.41 151.06 32.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 72.33 110.914 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.21 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.637 2.225 . . . . 72.01 112.334 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 14' ' ' LEU . 1.7 tp -81.58 -163.7 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 62.11 110.922 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.01 49.46 3.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 61.42 112.467 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -135.32 27.91 3.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 72.11 110.876 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -177.81 -84.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 71.35 110.929 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.84 13.56 34.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 73.51 112.454 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -82.85 -174.98 5.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 74.31 110.94 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.63 -165.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 74.34 110.957 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.697 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -85.62 -166.48 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 72.5 110.864 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.8 t -128.22 145.39 35.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 71.11 111.109 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.758 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.5 OUTLIER -23.68 -35.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.384 . . . . 43.4 110.904 -179.11 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 24' ' ' DBB . 6.7 mt-10 -50.01 -48.88 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 64.25 110.89 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' DBB . 95.0 m -124.03 -15.07 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.855 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.494 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 5.8 mmt -128.11 113.44 20.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 72.23 110.846 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.69 -14.03 35.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.264 . . . . 70.04 112.346 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -78.7 27.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.864 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.42 127.55 40.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 61.34 110.918 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.894 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.425 ' O1 ' ' H43' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.496 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 9.1 pt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.663 0.268 . . . . 73.42 111.107 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.491 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 3' ' ' DBB . 8.1 mp -30.62 129.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 62.42 110.927 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.507 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.507 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.522 ' HA ' ' HG2' ' A' ' 22' ' ' DBB . 92.1 m -68.96 -60.79 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.757 -0.656 . . . . 34.14 110.894 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.91 2.23 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 34.31 111.142 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mm -95.93 -47.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 63.23 111.092 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -96.33 22.34 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.072 0.463 . . . . 71.31 110.913 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.425 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -172.29 156.28 3.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.543 0.687 . . . . 74.05 110.859 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 149.52 67.23 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.705 2.27 . . . . 64.4 112.376 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.843 HD11 ' HA ' ' A' ' 17' ' ' ASN . 1.1 pt? -152.38 -172.34 4.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.13 110.942 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.479 ' N ' ' HG ' ' A' ' 14' ' ' LEU . . . -127.62 -12.62 2.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.72 . . . . 20.43 112.53 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -133.93 79.4 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 71.31 110.891 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.843 ' HA ' HD11 ' A' ' 14' ' ' LEU . 52.9 t30 -44.93 131.04 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 72.13 110.877 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.79 -89.02 0.69 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 74.32 112.479 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -114.95 -169.7 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.908 0.385 . . . . 70.11 110.918 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 2' ' ' ILE . 6.3 mt -72.16 177.32 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.952 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 -166.78 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.4 110.868 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' DBB . . . . . 0.522 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -128.39 145.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 64.43 111.121 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.763 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.1 OUTLIER -23.67 -35.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 64.11 110.872 -179.094 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.763 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.7 mt-10 -50.08 -48.85 52.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 70.12 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' DBB . 79.2 m -123.31 -15.65 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 42.33 110.908 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -128.11 113.56 20.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.558 0.694 . . . . 75.53 110.885 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.2 Cg_endo -69.81 -14.27 35.71 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.707 2.271 . . . . 62.32 112.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -78.9 28.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 64.4 110.894 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.81 91.21 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 74.21 110.92 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.03 110.902 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.448 ' O1 ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.468 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.7 0.286 . . . . 45.55 111.12 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.408 ' HG3' HG12 ' A' ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' CD1' ' O1 ' ' A' ' 1' ' ' 2KT . 5.6 mp -88.51 129.69 35.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.29 -0.413 . . . . 61.31 110.927 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.435 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.435 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 1.4 p -83.02 -44.45 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.722 -0.672 . . . . 71.44 110.87 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . -74.19 -4.21 34.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 64.33 111.11 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mt -96.24 -47.63 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 62.01 111.145 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.638 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -96.62 20.18 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 61.15 110.915 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.528 ' C ' ' HD3' ' A' ' 13' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER 35.8 51.86 1.63 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 74.24 110.896 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.528 ' HD3' ' C ' ' A' ' 11' ' ' DAL . 53.8 Cg_endo -69.74 169.47 18.82 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.687 2.258 . . . . 63.34 112.318 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.651 ' H ' HD23 ' A' ' 14' ' ' LEU . 2.5 pt? -107.75 -166.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 63.25 110.896 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.91 84.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 62.01 112.478 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.823 HD21 HG11 ' A' ' 23' ' ' VAL . 53.4 t-20 -143.15 45.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 64.21 110.846 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER 66.41 -2.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 70.32 110.886 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 16' ' ' ASN . . . 78.76 13.68 82.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.78 -0.724 . . . . 64.12 112.515 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -58.73 -175.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.905 0.383 . . . . 75.42 110.897 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.04 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 54.44 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -165.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 65.53 110.911 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.823 HG11 HD21 ' A' ' 16' ' ' ASN . 4.7 t -128.29 145.52 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 62.22 111.113 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.758 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -23.63 -35.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.392 . . . . 72.24 110.911 -179.149 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.0 mt-10 -49.93 -48.9 51.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 24' ' ' DBB . 95.2 m -123.8 -15.21 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 70.5 110.89 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.0 ttp -128.07 113.22 20.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 71.1 110.896 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.72 -14.14 35.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 63.24 112.362 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -78.55 27.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 53.21 110.875 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.21 134.35 35.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.852 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 72.02 110.859 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . 0.568 ' H43' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.462 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.691 0.282 . . . . 72.32 111.127 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.481 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' CD1' ' O1 ' ' A' ' 1' ' ' 2KT . 10.1 mp -30.63 129.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 74.34 110.927 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.457 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.457 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 98.6 m -67.33 -62.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.752 -0.658 . . . . 74.43 110.873 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.26 1.25 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 51.12 111.124 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mt -96.01 -46.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 71.24 111.115 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 11' ' ' DAL . 2.5 tp -96.26 23.8 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 74.43 110.93 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.42 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.74 143.78 0.44 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 75.34 110.885 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 53.5 Cg_endo -69.81 165.34 31.36 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 63.34 112.346 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.684 ' C ' HD12 ' A' ' 14' ' ' LEU . 2.9 pp 42.16 -167.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.914 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.528 ' N ' HD12 ' A' ' 14' ' ' LEU . . . 102.11 -163.1 17.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 43.24 112.474 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' GLY . 36.8 t-20 -96.01 109.64 22.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 73.4 110.865 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.554 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 1.3 t30 49.64 -85.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.857 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.554 ' N ' ' CG ' ' A' ' 17' ' ' ASN . . . 127.9 87.52 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 71.43 112.495 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -65.97 -173.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.901 0.382 . . . . 74.45 110.897 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 21' ' ' CYS . 1.7 tm? -68.89 126.28 29.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 72.32 110.949 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.821 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -85.79 -166.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 63.53 110.858 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -128.48 145.92 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 51.12 111.119 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.761 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' C ' ' O ' ' A' ' 24' ' ' DBB . 1.3 mttt -23.76 -35.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 65.44 110.878 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.761 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.9 mt-10 -50.14 -48.87 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.885 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' DBB . 80.1 m -123.29 -15.79 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 60.45 110.871 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.497 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 4.0 mtp -128.09 113.43 20.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 70.43 110.88 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.0 Cg_endo -69.8 -14.43 35.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 71.45 112.299 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -78.72 27.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 74.11 110.846 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -92.8 147.92 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 63.43 110.889 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.897 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.793 ' N ' HD13 ' A' ' 2' ' ' ILE . 1.1 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.7 0.286 . . . . 75.12 111.16 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.478 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.5 mp -30.73 129.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 72.23 110.874 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.533 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.533 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.7 m -58.88 -52.62 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 63.43 110.829 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 13' ' ' PRO . . . -62.98 -8.08 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 64.03 111.092 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mt -98.1 -48.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 64.03 111.156 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.543 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -96.79 37.18 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.074 0.464 . . . . 63.51 110.916 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.514 ' HB2' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.87 130.17 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 70.11 110.934 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HB3' ' HB1' ' A' ' 8' ' ' ALA . 53.5 Cg_endo -69.79 165.72 30.06 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 72.51 112.31 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.71 -163.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.55 ' O ' ' ND2' ' A' ' 16' ' ' ASN . . . 44.86 34.61 4.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 40.21 112.48 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 15' ' ' GLY . 1.6 p30 54.19 168.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 73.43 110.899 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 19' ' ' TYR . 8.5 t30 179.49 -76.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.867 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.12 5.57 2.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.459 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.472 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . 3.8 t80 -75.83 -164.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.894 0.378 . . . . 64.02 110.931 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' A' ' 21' ' ' CYS . 57.2 tp -164.08 168.7 18.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 74.24 110.88 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.929 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -84.37 -168.94 2.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 63.43 110.885 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 21' ' ' CYS . 21.9 t -135.13 149.18 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 54.24 111.159 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.747 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -24.12 -35.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.381 . . . . 62.53 110.935 -179.125 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.747 ' N ' ' O ' ' A' ' 24' ' ' DBB . 6.4 mt-10 -49.95 -48.81 51.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 74.04 110.88 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' DBB . 85.2 m -124.93 -14.14 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.839 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.479 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 8.0 tpp -128.08 113.09 20.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 74.42 110.907 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.1 Cg_endo -69.68 -13.82 35.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 62.14 112.398 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 t -78.65 27.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.855 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.9 87.97 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.898 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.86 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.665 0.269 . . . . 71.32 111.14 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' DBB . . . . . 0.475 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 3' ' ' DBB . 9.4 mp -30.78 129.41 0.12 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.269 -0.423 . . . . 41.43 110.93 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' DHA . . . . . 0.401 ' C ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' DBU . . . . . 0.401 ' HG3' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -59.93 -42.7 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.762 -0.653 . . . . 73.1 110.892 -178.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.4 -6.7 47.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 72.42 111.165 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -96.4 -47.62 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.182 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.797 ' CD2' ' HG2' ' A' ' 22' ' ' DBB . 0.3 OUTLIER -96.72 19.14 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 70.31 110.882 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' DAL . . . . . 0.541 ' C ' ' HG2' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.541 ' HG2' ' C ' ' A' ' 11' ' ' DAL . 0.2 OUTLIER 46.06 52.08 10.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 54.25 110.852 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 54.1 Cg_endo -69.77 -163.45 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 62.52 112.337 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.512 HD12 ' H ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -59.47 -163.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.926 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.512 ' H ' HD12 ' A' ' 14' ' ' LEU . . . -114.79 -12.4 10.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 61.51 112.478 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -141.08 57.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 73.41 110.904 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -176.76 127.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 53.21 110.868 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.63 10.25 70.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 11.42 112.5 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.511 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 2.6 t80 -65.81 -174.71 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 71.55 110.879 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.511 ' HG ' ' CD2' ' A' ' 19' ' ' TYR . 4.1 pp -50.18 165.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 72.35 110.904 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 11' ' ' DAL . 0.1 OUTLIER -84.87 -169.03 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.859 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' DBB . . . . . 0.797 ' HG2' ' CD2' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.5 t -145.28 144.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 75.22 111.18 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' DBB . . . . . 0.725 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.1 OUTLIER -25.11 -35.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.395 . . . . 71.54 110.931 -179.051 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.725 ' N ' ' O ' ' A' ' 24' ' ' DBB . 2.2 mt-10 -50.22 -48.89 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 72.51 110.901 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' DBB . 73.9 m -125.09 -13.42 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 72.04 110.842 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.8 mtp -128.54 113.83 19.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.521 0.676 . . . . 61.43 110.909 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.78 -13.03 34.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.28 . . . . 74.32 112.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -79.02 28.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.3 110.842 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' CB ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.17 135.46 37.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 53.44 110.879 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.879 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.767 0.318 . . . . 63.2 110.881 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -49.88 -48.67 51.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.886 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 98.3 m -123.82 -14.79 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 70.23 110.882 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.47 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 1.2 ttt -129.3 111.97 18.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 45.14 110.901 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.04 32.09 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 51.03 112.341 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -74.07 10.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.848 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 71.02 110.877 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.728 0.299 . . . . 71.13 110.885 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -50.1 -48.94 53.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 43.21 110.922 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.7 m -123.83 -14.84 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 74.54 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 3.3 ttm -128.35 113.18 19.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 71.12 110.841 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.421 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.79 -14.07 35.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.268 . . . . 65.33 112.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -78.63 26.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.893 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 62.01 110.853 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.796 0.331 . . . . 63.41 110.903 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -50.17 -48.83 53.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.912 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.4 m -123.52 -15.38 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 71.43 110.888 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.497 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -128.26 113.53 19.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.562 0.696 . . . . 71.34 110.862 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.1 Cg_endo -69.77 -14.15 35.65 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.721 2.281 . . . . 71.33 112.35 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -78.68 27.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.883 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.41 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 64.42 110.856 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.738 0.304 . . . . 63.5 110.866 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.45 -48.93 47.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.926 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.0 m -125.06 -13.68 6.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 54.4 110.876 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -127.66 112.07 20.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.697 . . . . 74.53 110.908 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.76 -15.21 36.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 72.31 112.367 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.1 t -79.25 26.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.15 110.876 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 65.43 110.889 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.746 0.308 . . . . 62.2 110.891 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -50.04 -48.9 52.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 50.45 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 93.7 m -123.89 -15.16 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.836 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 6.3 tpp -128.07 113.33 20.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.69 . . . . 74.34 110.877 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.73 -14.24 35.88 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.258 . . . . 73.24 112.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -78.6 27.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 70.32 110.856 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.893 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.704 0.287 . . . . 73.31 110.888 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -50.09 -48.81 53.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 64.34 110.859 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.6 m -123.61 -15.43 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.905 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 5.2 mtt -128.21 113.6 19.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 74.02 110.879 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.5 Cg_endo -69.77 -14.15 35.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.661 2.241 . . . . 62.44 112.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -78.73 28.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.844 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 65.11 110.873 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.775 0.321 . . . . 72.4 110.896 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -50.21 -48.75 54.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.874 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.0 m -123.48 -15.63 7.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 41.2 110.917 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -128.1 113.57 20.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.525 0.679 . . . . 75.2 110.88 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.8 Cg_endo -69.79 -14.14 35.59 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.684 2.256 . . . . 75.53 112.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -78.73 28.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.864 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.23 110.868 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.742 0.306 . . . . 73.4 110.877 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -50.09 -48.67 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.914 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.7 m -123.96 -15.49 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 63.11 110.839 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 4.6 mmt -127.96 113.77 20.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 71.34 110.864 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.74 -14.16 35.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 43.3 112.323 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 t -78.6 28.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 44.42 110.864 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 42.12 110.885 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.737 0.303 . . . . 75.14 110.894 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -49.77 -48.74 50.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 71.03 110.886 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 88.1 m -123.99 -14.94 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 65.52 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.1 mpt? -127.9 113.03 20.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.589 0.709 . . . . 62.51 110.826 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.3 Cg_endo -69.82 -15.03 36.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.622 2.215 . . . . 71.43 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 t -79.08 27.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 74.22 110.875 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.741 0.305 . . . . 73.52 110.891 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.82 -48.75 50.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 65.12 110.888 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 84.0 m -125.1 -14.28 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 43.45 110.86 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.3 mtp -127.92 113.63 20.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 73.13 110.903 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.72 -13.25 34.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 62.22 112.367 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -78.81 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 63.33 110.889 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 71.23 110.847 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.781 0.324 . . . . 74.53 110.906 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -50.2 -48.6 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 73.05 110.861 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.6 m -124.99 -13.98 6.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.23 110.887 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.484 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -128.34 113.66 19.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.544 0.688 . . . . 74.23 110.885 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.79 -13.47 34.64 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 2.275 . . . . 70.53 112.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.46 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 2.8 t -78.88 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 60.21 110.855 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 65.23 110.841 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.74 0.305 . . . . 71.04 110.874 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.91 -48.76 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 61.43 110.87 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.5 m -125.1 -14.01 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 52.21 110.881 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.482 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 17.3 mmm -128.13 113.54 20.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.531 0.682 . . . . 64.42 110.855 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.77 -13.31 34.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 42.4 112.377 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -78.82 27.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 64.44 110.853 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 73.35 110.856 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.751 0.31 . . . . 75.32 110.915 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -50.13 -48.89 53.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.848 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.9 m -123.72 -15.18 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.886 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.496 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 7.6 tpp -128.16 113.53 20.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.709 . . . . 70.11 110.905 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.8 Cg_endo -69.77 -14.04 35.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.685 2.257 . . . . 75.22 112.35 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -78.75 28.01 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 61.24 110.907 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 65.53 110.894 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.74 0.305 . . . . 72.23 110.871 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -50.12 -48.91 53.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 73.43 110.905 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.5 m -123.54 -15.52 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 62.35 110.865 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -128.0 113.4 20.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.526 0.679 . . . . 71.12 110.917 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.72 -14.36 36.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 62.52 112.371 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.64 27.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 65.35 110.83 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 65.34 110.824 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.762 0.315 . . . . 43.4 110.904 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -50.01 -48.88 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 64.25 110.89 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.0 m -124.03 -15.07 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.855 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.494 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 5.8 mmt -128.11 113.44 20.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 72.23 110.846 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.69 -14.03 35.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.264 . . . . 70.04 112.346 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -78.7 27.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.864 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 61.34 110.918 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.739 0.304 . . . . 64.11 110.872 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -50.08 -48.85 52.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 70.12 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 79.2 m -123.31 -15.65 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 42.33 110.908 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -128.11 113.56 20.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.558 0.694 . . . . 75.53 110.885 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.2 Cg_endo -69.81 -14.27 35.71 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.707 2.271 . . . . 62.32 112.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -78.9 28.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 64.4 110.894 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 74.21 110.92 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.792 0.33 . . . . 72.24 110.911 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -49.93 -48.9 51.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.917 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 95.2 m -123.8 -15.21 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 70.5 110.89 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.0 ttp -128.07 113.22 20.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 71.1 110.896 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.72 -14.14 35.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 63.24 112.362 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -78.55 27.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 53.21 110.875 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.852 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 28' ' ' MET . 1.3 mttt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.751 0.31 . . . . 65.44 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -50.14 -48.87 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.885 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 80.1 m -123.29 -15.79 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 60.45 110.871 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.497 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 4.0 mtp -128.09 113.43 20.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 70.43 110.88 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.0 Cg_endo -69.8 -14.43 35.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 71.45 112.299 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -78.72 27.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 74.11 110.846 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 63.43 110.889 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.781 0.324 . . . . 62.53 110.935 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -49.95 -48.81 51.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 74.04 110.88 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.2 m -124.93 -14.14 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.839 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.479 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 8.0 tpp -128.08 113.09 20.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 74.42 110.907 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.1 Cg_endo -69.68 -13.82 35.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 62.14 112.398 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 t -78.65 27.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.855 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.898 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 28' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.757 0.313 . . . . 71.54 110.931 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -50.22 -48.89 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 72.51 110.901 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.9 m -125.09 -13.42 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 72.04 110.842 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.8 mtp -128.54 113.83 19.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.521 0.676 . . . . 61.43 110.909 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.78 -13.03 34.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.28 . . . . 74.32 112.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -79.02 28.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.3 110.842 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 53.44 110.879 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 pt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.719 0.295 . . . . 74.43 111.121 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.49 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.49 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.3 mp -30.82 129.07 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.349 -0.387 . . . . 61.2 110.885 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.777 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.777 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 3' ' ' DBB . 86.1 m -76.59 -69.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.76 -0.655 . . . . 54.02 110.893 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . -69.89 -0.16 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.24 111.144 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mm -84.74 -37.86 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 74.45 111.107 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.029 HD13 ' CD2' ' A' ' 19' ' ' TYR . 1.7 tt -83.83 34.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.101 0.477 . . . . 74.13 110.917 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' CD ' ' HB3' ' A' ' 17' ' ' ASN . 1.6 ptmm? 173.93 130.19 0.11 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.528 0.68 . . . . 71.43 110.915 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.766 ' O ' HD23 ' A' ' 14' ' ' LEU . 53.5 Cg_endo -69.78 148.37 64.77 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 62.11 112.303 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.766 HD23 ' O ' ' A' ' 13' ' ' PRO . 0.9 OUTLIER 44.63 -164.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.9 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -93.86 92.92 1.64 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.79 -0.719 . . . . 64.31 112.499 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -122.3 18.78 10.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 73.34 110.883 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.472 ' HB3' ' CD ' ' A' ' 12' ' ' LYS . 16.6 t-20 -179.5 -80.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 71.52 110.9 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.33 17.15 7.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 43.25 112.492 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.029 ' CD2' HD13 ' A' ' 10' ' ' LEU . 4.8 t80 -54.96 -175.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 60.12 110.921 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD22 ' SG ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -75.67 47.73 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 72.04 110.921 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.52 ' SG ' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.15 -164.78 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 74.35 110.916 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 4.8 t -130.48 145.44 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 74.32 111.121 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.751 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.6 OUTLIER -23.81 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 63.2 110.881 -179.099 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.751 ' N ' ' O ' ' A' ' 24' ' ' DBB . 7.2 mt-10 -49.88 -48.67 51.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.886 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 24' ' ' DBB . 98.3 m -123.82 -14.79 7.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 70.23 110.882 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.47 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 1.2 ttt -129.3 111.97 18.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 45.14 110.901 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -12.04 32.09 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.68 2.253 . . . . 51.03 112.341 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -74.07 10.59 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.848 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.435 ' CB ' ' H ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -79.99 127.13 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 71.02 110.877 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.7 m120 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 72.52 110.904 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.462 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.686 0.279 . . . . 45.14 111.133 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.492 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 4' ' ' LEU . 5.5 mp -30.61 129.63 0.11 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.379 -0.373 . . . . 75.2 110.945 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.47 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.47 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.5 m -63.94 -58.57 6.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.665 . . . . 73.52 110.915 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.79 -5.62 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 71.01 111.072 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mt -96.31 -47.61 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 70.45 111.138 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 11' ' ' DAL . 6.4 tp -96.55 21.0 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 71.13 110.921 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.422 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 2.2 ptmm? -150.09 80.99 7.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 72.54 110.899 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 150.2 68.02 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.69 2.26 . . . . 73.13 112.373 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 pp -83.8 165.79 18.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 74.24 110.921 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.54 5.25 85.83 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 75.12 112.488 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' CG ' ' N ' ' A' ' 17' ' ' ASN . 5.0 t-20 -171.69 164.04 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.831 0.348 . . . . 63.54 110.853 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 16' ' ' ASN . 48.0 t30 -54.43 178.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 55.22 110.9 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 12' ' ' LYS . . . 125.23 87.55 0.71 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 63.01 112.522 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.572 ' CE2' HD13 ' A' ' 20' ' ' LEU . 3.5 t80 -76.98 -166.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.942 0.401 . . . . 63.1 110.909 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.572 HD13 ' CE2' ' A' ' 19' ' ' TYR . 5.4 mp -44.97 157.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 63.42 110.915 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -167.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 72.13 110.861 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 t -128.74 146.34 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.328 -0.396 . . . . 73.05 111.147 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.755 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.4 OUTLIER -23.7 -35.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 71.13 110.885 -179.129 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.755 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.2 mt-10 -50.1 -48.94 53.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 43.21 110.922 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 24' ' ' DBB . 95.7 m -123.83 -14.84 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 74.54 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 3.3 ttm -128.35 113.18 19.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.571 0.7 . . . . 71.12 110.841 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.421 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.79 -14.07 35.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.701 2.268 . . . . 65.33 112.289 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 t -78.63 26.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.893 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -92.91 177.66 6.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 62.01 110.853 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 63.1 110.867 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.526 ' H43' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.734 ' N ' HD13 ' A' ' 2' ' ' ILE . 1.3 mm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.699 0.285 . . . . 71.05 111.102 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.517 ' HG3' HG22 ' A' ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' A' ' 3' ' ' DBB . 4.0 mp -30.7 130.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.399 . . . . 72.32 110.919 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.789 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.789 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 6.9 p -74.77 -46.72 35.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.773 -0.649 . . . . 72.42 110.87 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.503 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . -77.97 1.87 19.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 65.34 111.125 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 5' ' ' DHA . 5.4 mt -96.33 -47.07 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.119 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -96.23 23.25 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 53.2 110.911 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.415 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -59.11 156.24 28.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 74.34 110.843 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -163.7 0.11 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.715 2.276 . . . . 71.22 112.346 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -57.22 -163.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.929 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.43 178.03 31.86 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 71.2 112.475 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 46.27 -164.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.833 0.349 . . . . 63.15 110.88 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -44.95 -70.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.891 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.53 9.34 21.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.732 -0.747 . . . . 63.44 112.481 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.13 -175.13 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 73.22 110.908 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.675 ' H ' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -68.33 175.6 3.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 63.3 110.908 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -166.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 51.4 110.884 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -128.53 145.84 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 62.25 111.133 -179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.76 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.1 OUTLIER -23.58 -35.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 63.41 110.903 -179.104 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.76 ' N ' ' O ' ' A' ' 24' ' ' DBB . 8.7 mt-10 -50.17 -48.83 53.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.912 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' DBB . 87.4 m -123.52 -15.38 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 71.43 110.888 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.497 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -128.26 113.53 19.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.562 0.696 . . . . 71.34 110.862 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.1 Cg_endo -69.77 -14.15 35.65 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.721 2.281 . . . . 71.33 112.35 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.4 t -78.68 27.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.883 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.41 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.1 133.96 37.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 64.42 110.856 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.45 110.896 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 pt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.716 0.293 . . . . 65.44 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.494 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' C ' ' O ' ' A' ' 3' ' ' DBB . 11.2 mp -30.69 129.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.373 -0.376 . . . . 52.12 110.914 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.665 ' O ' HD12 ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -56.98 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.726 -0.67 . . . . 75.13 110.893 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.715 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . . . -68.23 -2.12 7.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 75.23 111.052 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 5' ' ' DHA . 3.3 mt -85.15 -33.04 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 74.43 111.099 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.493 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 7.7 tp -90.22 40.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 71.4 110.897 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.487 ' C ' ' CD ' ' A' ' 13' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.586 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 8.0 pttm -124.89 45.14 1.24 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 72.15 110.911 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 53.7 Cg_endo -69.71 -163.83 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.27 . . . . 75.3 112.298 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.637 ' H ' HD23 ' A' ' 14' ' ' LEU . 2.6 pt? -131.02 177.18 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 40.22 110.894 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.16 -131.39 10.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 71.35 112.513 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -54.07 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 73.32 110.888 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.7 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -52.25 165.45 0.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.893 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.8 87.45 0.73 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 72.42 112.498 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -162.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.914 0.388 . . . . 71.34 110.938 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mp -72.45 178.18 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 72.05 110.937 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.818 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -91.74 -167.82 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.863 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . 0.414 ' H1 ' ' HB3' ' A' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.6 t -129.28 144.95 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 70.11 111.141 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.769 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -22.99 -36.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 63.5 110.866 -179.09 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.769 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.0 mt-10 -49.45 -48.93 47.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.926 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' DBB . 87.0 m -125.06 -13.68 6.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 54.4 110.876 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.473 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -127.66 112.07 20.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.697 . . . . 74.53 110.908 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.76 -15.21 36.97 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.654 2.236 . . . . 72.31 112.367 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.1 t -79.25 26.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.15 110.876 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -91.0 40.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.504 . . . . 65.43 110.889 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.2 p30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.943 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.672 0.272 . . . . 71.24 111.139 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.493 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.493 ' C ' ' O ' ' A' ' 3' ' ' DBB . 7.0 mp -30.7 129.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 73.34 110.897 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.408 ' C ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.5 ' CG ' HD12 ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.493 ' HA ' ' HG2' ' A' ' 22' ' ' DBB . 75.0 m -62.38 -59.79 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.764 -0.653 . . . . 54.35 110.89 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.59 2.41 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 72.22 111.073 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.5 HD12 ' CG ' ' A' ' 6' ' ' DBU . 5.4 mt -96.25 -47.45 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 72.02 111.13 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 11' ' ' DAL . 9.9 tp -96.56 21.32 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.851 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.423 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -137.1 156.38 75.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.569 0.7 . . . . 70.41 110.893 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -175.31 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.685 2.257 . . . . 71.12 112.348 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -79.51 -163.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.937 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' H ' HD12 ' A' ' 14' ' ' LEU . . . 85.96 123.8 1.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 51.53 112.433 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.446 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER 44.45 95.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 34.04 110.891 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 4.2 p30 53.42 -177.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.93 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.87 87.43 0.33 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 65.44 112.501 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -106.04 -169.75 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.947 0.403 . . . . 74.41 110.904 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 tp -45.26 144.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.895 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.613 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -93.18 -165.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 50.23 110.899 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . 0.493 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.8 t -128.45 145.79 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 74.43 111.176 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.762 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -23.51 -35.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.327 -0.397 . . . . 62.2 110.891 -179.113 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.762 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.5 mt-10 -50.04 -48.9 52.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 50.45 110.877 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' DBB . 93.7 m -123.89 -15.16 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.836 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 6.3 tpp -128.07 113.33 20.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.69 . . . . 74.34 110.877 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.73 -14.24 35.88 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.258 . . . . 73.24 112.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -78.6 27.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 70.32 110.856 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.74 112.56 24.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 75.23 110.893 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.0 p30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.0 110.875 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.437 ' H31' HD22 ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.781 HG22 ' HG3' ' A' ' 3' ' ' DBB . 9.2 mm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.708 0.29 . . . . 60.44 111.119 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.781 ' HG3' HG22 ' A' ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 3' ' ' DBB . 8.1 mp -30.7 132.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 61.43 110.908 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.564 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.564 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 p -64.11 -19.63 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.697 -0.683 . . . . 62.3 110.879 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.94 -5.59 37.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 74.45 111.105 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 mt -96.46 -47.62 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 63.52 111.149 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 11' ' ' DAL . 7.6 tp -96.64 19.66 12.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.02 110.925 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.447 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 11' ' ' DAL . 12.9 ptmt 34.34 80.96 0.25 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 74.1 110.927 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 150.84 68.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.654 2.236 . . . . 72.53 112.324 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.649 HD11 HD22 ' A' ' 17' ' ' ASN . 0.2 OUTLIER -76.95 -174.75 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.86 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.48 -106.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.784 -0.722 . . . . 63.43 112.423 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.527 ' O ' ' N ' ' A' ' 18' ' ' GLY . 4.9 p-10 -54.76 -166.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 75.12 110.904 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.649 HD22 HD11 ' A' ' 14' ' ' LEU . 1.2 t30 49.89 -85.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.882 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.532 ' N ' ' CG ' ' A' ' 17' ' ' ASN . . . 82.25 35.58 20.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 51.21 112.521 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.513 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 7.6 t80 -58.26 -175.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 74.42 110.94 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.08 172.17 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 72.31 110.884 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.832 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -91.65 -166.68 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 65.33 110.912 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 21' ' ' CYS . 11.9 t -128.65 147.28 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 73.15 111.087 -179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.758 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.2 OUTLIER -23.83 -35.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.311 -0.404 . . . . 73.31 110.888 -179.107 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.3 mt-10 -50.09 -48.81 53.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 64.34 110.859 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 24' ' ' DBB . 87.6 m -123.61 -15.43 7.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.905 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 5.2 mtt -128.21 113.6 19.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.569 0.7 . . . . 74.02 110.879 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.5 Cg_endo -69.77 -14.15 35.66 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.661 2.241 . . . . 62.44 112.319 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -78.73 28.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.844 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.94 118.79 31.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 65.11 110.873 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.895 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.46 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.738 0.304 . . . . 72.43 111.127 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.481 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.5 mp -30.72 129.61 0.12 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.314 -0.403 . . . . 64.03 110.908 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.482 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.482 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.5 m -64.7 -58.6 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.783 -0.644 . . . . 43.3 110.875 -178.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.35 -5.07 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 62.22 111.087 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 mt -96.42 -47.71 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 35.42 111.151 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.65 18.91 13.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 63.01 110.915 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.448 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 11' ' ' DAL . 0.1 OUTLIER -34.08 142.08 0.22 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.588 0.709 . . . . 75.44 110.944 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' HG2' ' CB ' ' A' ' 16' ' ' ASN . 53.5 Cg_endo -69.76 -175.82 1.28 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.711 2.274 . . . . 73.24 112.35 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.678 HD23 ' H ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -92.41 150.72 20.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.974 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 44.9 49.98 8.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 71.32 112.499 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' CB ' ' HG2' ' A' ' 13' ' ' PRO . 12.1 p-10 -123.86 -166.37 1.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 61.33 110.911 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -80.42 14.8 1.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 63.54 110.861 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.2 13.82 22.85 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.713 -0.756 . . . . 75.31 112.492 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.86 -175.04 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.911 0.386 . . . . 71.44 110.953 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.4 mt -72.03 -174.58 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 70.3 110.877 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.34 -165.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 61.23 110.866 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -128.42 145.67 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 63.04 111.121 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.76 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.3 OUTLIER -23.6 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.343 -0.389 . . . . 72.4 110.896 -179.142 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.76 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.0 mt-10 -50.21 -48.75 54.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 74.54 110.874 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' DBB . 86.0 m -123.48 -15.63 7.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 41.2 110.917 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -128.1 113.57 20.13 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.525 0.679 . . . . 75.2 110.88 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.8 Cg_endo -69.79 -14.14 35.59 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.684 2.256 . . . . 75.53 112.325 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -78.73 28.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.864 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.07 109.92 21.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 72.23 110.868 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.938 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.441 ' O1 ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.557 HG12 ' HG3' ' A' ' 3' ' ' DBB . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.682 0.277 . . . . 71.12 111.095 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.557 ' HG3' HG12 ' A' ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 4' ' ' LEU . 6.7 mp -30.66 130.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.328 -0.396 . . . . 71.35 110.904 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.736 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.736 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 3.7 p -81.13 -45.7 16.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.75 -0.659 . . . . 61.32 110.906 -178.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . -78.2 0.91 23.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 55.32 111.14 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 5' ' ' DHA . 6.3 mt -96.23 -47.4 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 64.24 111.174 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 10' ' ' LEU . 6.8 tp -96.53 21.63 9.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 63.14 110.956 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.413 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -139.38 152.77 69.91 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 62.31 110.925 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.843 ' C ' HD23 ' A' ' 14' ' ' LEU . 53.2 Cg_endo -69.77 166.1 28.75 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.664 2.243 . . . . 73.33 112.32 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.843 HD23 ' C ' ' A' ' 13' ' ' PRO . 1.3 pt? 46.49 -173.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.931 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 16' ' ' ASN . . . 87.6 83.93 1.19 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.762 . . . . 73.34 112.466 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.711 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 0.2 OUTLIER 52.15 171.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 71.01 110.859 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.711 ' H ' ' ND2' ' A' ' 16' ' ' ASN . 9.5 p30 -44.82 -27.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.35 110.928 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 17' ' ' ASN . . . 114.85 87.01 1.43 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.699 -0.763 . . . . 70.45 112.461 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -84.81 -174.29 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 71.03 110.912 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.43 132.6 29.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.087 -0.506 . . . . 75.31 110.912 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.19 -167.17 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 64.34 110.85 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -128.25 145.86 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.401 . . . . 62.23 111.124 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.75 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -23.92 -35.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 73.4 110.877 -179.118 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.75 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.1 mt-10 -50.09 -48.67 53.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.914 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' DBB . 91.7 m -123.96 -15.49 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 63.11 110.839 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 4.6 mmt -127.96 113.77 20.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 71.34 110.864 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.74 -14.16 35.75 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 43.3 112.323 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 t -78.6 28.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 44.42 110.864 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.56 164.56 12.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 42.12 110.885 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.9 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.458 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.694 0.283 . . . . 64.11 111.147 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.48 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.48 ' C ' ' O ' ' A' ' 3' ' ' DBB . 0.6 OUTLIER -30.7 129.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 75.25 110.926 -179.064 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.425 ' C ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.622 ' CB ' HD12 ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.0 m -61.76 -53.71 52.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.751 -0.658 . . . . 51.51 110.853 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.19 -1.41 7.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 74.51 111.086 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.622 HD12 ' CB ' ' A' ' 6' ' ' DBU . 7.8 mt -96.46 -47.7 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 72.22 111.097 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.4 tt -96.67 18.47 14.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.04 0.448 . . . . 74.1 110.922 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 pttm -100.64 144.68 28.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 62.34 110.91 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -173.48 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 74.1 112.391 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -97.18 -178.31 4.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 71.45 110.943 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.99 -140.81 15.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.774 -0.726 . . . . 74.33 112.494 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' ASN . 11.2 p-10 -93.91 67.11 3.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 73.32 110.911 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.454 ' OD1' ' C ' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -164.12 137.64 5.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 44.51 110.879 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -153.83 13.53 0.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.718 . . . . 72.15 112.515 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -67.38 -174.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.866 0.365 . . . . 73.41 110.944 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.78 163.39 14.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 71.34 110.9 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.84 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.45 -166.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 51.33 110.883 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.6 t -128.22 145.01 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.313 -0.403 . . . . 62.53 111.105 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.768 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.2 OUTLIER -23.08 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 75.14 110.894 -179.088 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.768 ' N ' ' O ' ' A' ' 24' ' ' DBB . 7.7 mt-10 -49.77 -48.74 50.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 71.03 110.886 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' DBB . 88.1 m -123.99 -14.94 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 65.52 110.905 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.1 mpt? -127.9 113.03 20.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.589 0.709 . . . . 62.51 110.826 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.3 Cg_endo -69.82 -15.03 36.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.622 2.215 . . . . 71.43 112.325 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 t -79.08 27.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -92.66 151.24 20.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 74.22 110.875 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.889 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.593 HD12 ' HE3' ' A' ' 25' ' ' LYS . 2.1 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.651 0.263 . . . . 44.14 111.168 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.472 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.8 mp -30.74 129.46 0.12 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.343 -0.39 . . . . 60.25 110.855 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.488 ' O ' ' CD1' ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.478 ' CG ' HD12 ' A' ' 9' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.4 m -64.73 -61.05 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.717 -0.674 . . . . 73.41 110.832 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.56 2.71 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 44.13 111.062 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 5' ' ' DHA . 6.3 mt -96.27 -47.43 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 62.05 111.096 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.52 HD13 ' CD ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -96.53 17.42 16.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 72.01 110.919 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.449 ' O ' ' SG ' ' A' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 pttm 169.47 63.96 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 71.53 110.886 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.52 ' CD ' HD13 ' A' ' 10' ' ' LEU . 53.8 Cg_endo -69.72 176.8 6.26 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.712 2.275 . . . . 72.25 112.357 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 pp -81.07 165.38 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.34 110.86 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.49 -12.36 14.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 71.41 112.474 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -158.82 19.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 62.44 110.87 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -55.27 119.71 5.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 52.23 110.885 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.01 13.45 4.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 61.34 112.5 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.25 -175.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 65.33 110.883 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 tp -75.49 48.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 73.3 110.909 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.792 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.6 -165.29 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.884 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.6 t -127.91 145.1 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 64.41 111.142 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.747 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE3' HD12 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -24.12 -35.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.404 . . . . 73.52 110.891 -179.127 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.747 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.0 mt-10 -49.82 -48.75 50.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 65.12 110.888 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 24' ' ' DBB . 84.0 m -125.1 -14.28 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 43.45 110.86 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.483 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.3 mtp -127.92 113.63 20.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 73.13 110.903 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.72 -13.25 34.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 62.22 112.367 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -78.81 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 63.33 110.889 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' CB ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.3 81.61 3.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 71.23 110.847 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 62.34 110.899 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.462 ' O1 ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.471 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.659 0.266 . . . . 70.45 111.153 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.487 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 3' ' ' DBB . 9.9 mp -30.7 129.64 0.12 Allowed 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.321 -0.4 . . . . 61.44 110.936 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.516 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.516 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 99.9 m -64.2 -60.6 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.723 -0.671 . . . . 72.25 110.869 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.958 ' O ' ' HG3' ' A' ' 22' ' ' DBB . . . -62.67 -7.52 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 62.02 111.1 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.7 mt -95.96 -45.58 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 72.2 111.131 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.6 37.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.067 0.46 . . . . 64.12 110.929 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 170.77 142.91 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.552 0.692 . . . . 73.33 110.915 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.675 2.25 . . . . 72.33 112.363 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.761 ' H ' HD23 ' A' ' 14' ' ' LEU . 2.2 pt? -90.86 -170.07 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 70.53 110.913 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.88 -118.33 4.3 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 50.2 112.422 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -73.64 63.18 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 74.45 110.914 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -54.62 149.34 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 72.5 110.896 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.4 5.7 2.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 64.44 112.471 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.01 -162.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 70.13 110.904 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 20' ' ' LEU . 6.2 mt -164.11 171.01 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 43.1 110.954 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.617 ' O ' HG23 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -84.88 -174.75 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.25 110.847 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . 0.958 ' HG3' ' O ' ' A' ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.7 t -145.12 146.27 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.321 -0.4 . . . . 70.03 111.159 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.744 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -24.23 -35.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 74.53 110.906 -179.108 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.773 ' OE1' ' HB3' ' A' ' 8' ' ' ALA . 5.3 mt-10 -50.2 -48.6 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 73.05 110.861 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' DBB . 91.6 m -124.99 -13.98 6.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.23 110.887 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.484 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -128.34 113.66 19.75 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.544 0.688 . . . . 74.23 110.885 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.79 -13.47 34.64 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.712 2.275 . . . . 70.53 112.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.46 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 2.8 t -78.88 27.96 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 60.21 110.855 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' CB ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -95.84 124.33 39.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 65.23 110.841 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.6 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 61.01 110.874 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.732 0.301 . . . . 72.51 111.077 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.497 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' A' ' 3' ' ' DBB . 0.5 OUTLIER -30.56 129.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.349 -0.387 . . . . 75.04 110.916 -179.091 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 1.4 p -72.74 -43.86 62.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.729 -0.669 . . . . 73.53 110.851 -178.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.728 ' HB1' ' O ' ' A' ' 20' ' ' LEU . . . -72.55 -8.71 56.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 64.03 111.08 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.44 ' O ' ' CD ' ' A' ' 26' ' ' GLU . 7.2 mt -95.38 -45.27 13.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 70.11 111.15 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.619 HD22 ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -95.17 33.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 64.32 110.894 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.548 ' HB1' ' CE1' ' A' ' 19' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 pttm 171.02 156.77 0.22 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 75.01 110.861 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 148.45 65.05 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.702 2.268 . . . . 72.31 112.367 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -163.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 54.43 110.925 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.48 10.41 2.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 53.31 112.469 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -157.65 18.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 52.22 110.878 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 46.31 97.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 70.51 110.909 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 19' ' ' TYR . . . 126.66 88.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 54.15 112.452 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.548 ' CE1' ' HB1' ' A' ' 11' ' ' DAL . 0.2 OUTLIER -55.33 -163.82 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 73.34 110.932 -179.847 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.728 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -172.62 28.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 71.13 110.949 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.41 -164.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 72.54 110.918 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -130.85 144.87 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 72.5 111.143 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.738 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.4 OUTLIER -24.18 -35.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 71.04 110.874 -179.114 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.738 ' N ' ' O ' ' A' ' 24' ' ' DBB . 8.3 mt-10 -49.91 -48.76 51.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 61.43 110.87 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 24' ' ' DBB . 86.5 m -125.1 -14.01 6.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 52.21 110.881 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.482 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 17.3 mmm -128.13 113.54 20.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.531 0.682 . . . . 64.42 110.855 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.9 Cg_endo -69.77 -13.31 34.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.651 2.234 . . . . 42.4 112.377 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -78.82 27.78 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.434 . . . . 64.44 110.853 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -95.73 110.47 22.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 73.35 110.856 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.7 p30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 72.23 110.856 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.471 ' H31' HD13 ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.57 HG22 ' HG3' ' A' ' 3' ' ' DBB . 1.9 mp . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.648 0.261 . . . . 71.41 111.126 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.57 ' HG3' HG22 ' A' ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' C ' ' O ' ' A' ' 3' ' ' DBB . 4.1 mp -30.62 130.03 0.11 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.307 -0.406 . . . . 71.11 110.932 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.782 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.782 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.493 ' SG ' ' CD1' ' A' ' 20' ' ' LEU . 9.1 p -76.43 7.12 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.732 -0.667 . . . . 75.31 110.873 -178.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -136.69 2.25 2.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 70.1 111.09 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mm -96.09 -47.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.123 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 11' ' ' DAL . 3.5 tp -96.3 22.93 7.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 64.32 110.896 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.416 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 10.4 ptmm? -85.89 112.91 48.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.55 0.691 . . . . 74.24 110.88 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 148.98 65.91 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.675 2.25 . . . . 64.23 112.35 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -147.97 -163.68 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.929 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.42 -12.97 66.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 44.02 112.467 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.3 OUTLIER -151.85 19.6 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 71.24 110.857 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -55.16 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 64.14 110.894 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 131.64 9.47 2.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 63.43 112.493 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -111.5 -171.24 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 63.21 110.921 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.83 HD13 ' HB2' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -74.16 165.46 25.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.896 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.43 -164.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.9 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -128.35 145.35 35.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 62.43 111.105 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.756 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.2 OUTLIER -23.67 -35.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 75.32 110.915 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.756 ' N ' ' O ' ' A' ' 24' ' ' DBB . 6.7 mt-10 -50.13 -48.89 53.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.848 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' DBB . 92.9 m -123.72 -15.18 7.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.886 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.496 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 7.6 tpp -128.16 113.53 20.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.709 . . . . 70.11 110.905 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.8 Cg_endo -69.77 -14.04 35.5 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.685 2.257 . . . . 75.22 112.35 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -78.75 28.01 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 61.24 110.907 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.51 113.63 25.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 65.53 110.894 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 t30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.9 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.404 HG13 ' HG3' ' A' ' 3' ' ' DBB . 5.1 pt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.719 0.295 . . . . 50.22 111.133 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.487 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 3' ' ' DBB . 3.5 mp -30.66 130.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.304 -0.407 . . . . 74.3 110.896 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.41 ' C ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.41 ' HG3' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 p -70.34 -26.16 63.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.708 -0.678 . . . . 74.15 110.889 -178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.53 -3.0 43.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 70.32 111.094 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.43 -47.73 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 72.12 111.174 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.709 HD22 ' OE1' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -96.66 19.71 11.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 60.13 110.932 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.437 ' O ' ' C ' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 11' ' ' DAL . 15.2 pttp -35.06 143.13 0.24 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.516 0.674 . . . . 64.02 110.953 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -166.51 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.671 2.247 . . . . 63.42 112.366 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.44 -163.79 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 72.33 110.925 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' O ' ' CG ' ' A' ' 16' ' ' ASN . . . 74.2 48.17 15.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 73.44 112.479 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 18' ' ' GLY . 3.4 p-10 47.0 -166.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.362 . . . . 72.14 110.905 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.56 ' CG ' ' N ' ' A' ' 18' ' ' GLY . 1.0 OUTLIER 50.61 -85.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.862 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.56 ' N ' ' CG ' ' A' ' 17' ' ' ASN . . . 115.48 86.91 1.37 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 62.25 112.526 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -67.92 -174.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.93 0.395 . . . . 73.31 110.882 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.9 tp -72.41 163.0 28.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 75.54 110.908 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.858 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -90.78 -166.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 61.31 110.891 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.8 t -128.55 145.92 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 50.13 111.14 -179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.763 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -23.45 -35.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.335 -0.393 . . . . 72.23 110.871 -179.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.763 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.2 mt-10 -50.12 -48.91 53.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 73.43 110.905 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' DBB . 86.5 m -123.54 -15.52 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 62.35 110.865 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.478 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -128.0 113.4 20.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.526 0.679 . . . . 71.12 110.917 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.7 Cg_endo -69.72 -14.36 36.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 62.52 112.371 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.64 27.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 65.35 110.83 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.88 152.89 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 65.34 110.824 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 72.53 110.857 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.592 ' O1 ' HD12 ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.451 HG22 ' HG3' ' A' ' 3' ' ' DBB . 1.1 mt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.63 0.252 . . . . 74.44 111.167 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.474 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.592 HD12 ' O1 ' ' A' ' 1' ' ' 2KT . 5.3 mp -30.71 129.59 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.361 -0.381 . . . . 64.12 110.891 -179.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.471 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.471 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 3' ' ' DBB . 87.0 m -62.28 -54.28 42.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.722 -0.672 . . . . 54.3 110.856 -178.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.17 -4.22 7.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 71.14 111.095 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.435 HD12 ' CB ' ' A' ' 6' ' ' DBU . 7.4 mt -96.56 -47.89 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.109 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 9.6 tp -96.74 17.49 16.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.916 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.424 ' O ' ' SG ' ' A' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.4 pttt -149.41 151.06 32.81 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 72.33 110.914 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -164.21 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.637 2.225 . . . . 72.01 112.334 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 14' ' ' LEU . 1.7 tp -81.58 -163.7 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 62.11 110.922 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.01 49.46 3.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 61.42 112.467 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -135.32 27.91 3.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 72.11 110.876 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -177.81 -84.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 71.35 110.929 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.84 13.56 34.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.725 -0.75 . . . . 73.51 112.454 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -82.85 -174.98 5.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.885 0.374 . . . . 74.31 110.94 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.63 -165.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 74.34 110.957 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.697 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -85.62 -166.48 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 72.5 110.864 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 21' ' ' CYS . 4.8 t -128.22 145.39 35.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.344 -0.389 . . . . 71.11 111.109 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.758 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.5 OUTLIER -23.68 -35.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.384 . . . . 43.4 110.904 -179.11 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 24' ' ' DBB . 6.7 mt-10 -50.01 -48.88 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 64.25 110.89 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' DBB . 95.0 m -124.03 -15.07 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.855 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.494 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 5.8 mmt -128.11 113.44 20.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 72.23 110.846 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.69 -14.03 35.73 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.264 . . . . 70.04 112.346 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -78.7 27.86 0.21 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.864 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -94.42 127.55 40.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 61.34 110.918 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.894 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.425 ' O1 ' ' H43' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.496 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 9.1 pt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.663 0.268 . . . . 73.42 111.107 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.491 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' A' ' 3' ' ' DBB . 8.1 mp -30.62 129.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 62.42 110.927 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.507 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.507 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.522 ' HA ' ' HG2' ' A' ' 22' ' ' DBB . 92.1 m -68.96 -60.79 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.757 -0.656 . . . . 34.14 110.894 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.91 2.23 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 34.31 111.142 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mm -95.93 -47.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 63.23 111.092 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -96.33 22.34 7.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.072 0.463 . . . . 71.31 110.913 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.425 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 pttm -172.29 156.28 3.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.543 0.687 . . . . 74.05 110.859 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 149.52 67.23 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.705 2.27 . . . . 64.4 112.376 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.843 HD11 ' HA ' ' A' ' 17' ' ' ASN . 1.1 pt? -152.38 -172.34 4.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.13 110.942 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.479 ' N ' ' HG ' ' A' ' 14' ' ' LEU . . . -127.62 -12.62 2.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.72 . . . . 20.43 112.53 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -133.93 79.4 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 71.31 110.891 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.843 ' HA ' HD11 ' A' ' 14' ' ' LEU . 52.9 t30 -44.93 131.04 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 72.13 110.877 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.79 -89.02 0.69 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 74.32 112.479 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -114.95 -169.7 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.908 0.385 . . . . 70.11 110.918 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 2' ' ' ILE . 6.3 mt -72.16 177.32 4.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 74.23 110.952 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 -166.78 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.4 110.868 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . 0.522 ' HG2' ' HA ' ' A' ' 7' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -128.39 145.65 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 64.43 111.121 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.763 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.1 OUTLIER -23.67 -35.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 64.11 110.872 -179.094 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.763 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.7 mt-10 -50.08 -48.85 52.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 70.12 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 24' ' ' DBB . 79.2 m -123.31 -15.65 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 42.33 110.908 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.493 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -128.11 113.56 20.11 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.558 0.694 . . . . 75.53 110.885 179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.2 Cg_endo -69.81 -14.27 35.71 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.707 2.271 . . . . 62.32 112.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -78.9 28.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 64.4 110.894 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.81 91.21 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 74.21 110.92 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 71.03 110.902 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.448 ' O1 ' ' CD1' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.468 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.7 0.286 . . . . 45.55 111.12 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.408 ' HG3' HG12 ' A' ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' CD1' ' O1 ' ' A' ' 1' ' ' 2KT . 5.6 mp -88.51 129.69 35.4 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.29 -0.413 . . . . 61.31 110.927 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.435 ' C ' ' CG ' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.435 ' CG ' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.492 ' SG ' ' N ' ' A' ' 8' ' ' ALA . 1.4 p -83.02 -44.45 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.722 -0.672 . . . . 71.44 110.87 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . -74.19 -4.21 34.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 64.33 111.11 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mt -96.24 -47.63 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 62.01 111.145 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.638 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -96.62 20.18 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 61.15 110.915 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.528 ' C ' ' HD3' ' A' ' 13' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 13' ' ' PRO . 0.3 OUTLIER 35.8 51.86 1.63 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 74.24 110.896 -179.873 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.528 ' HD3' ' C ' ' A' ' 11' ' ' DAL . 53.8 Cg_endo -69.74 169.47 18.82 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.687 2.258 . . . . 63.34 112.318 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.651 ' H ' HD23 ' A' ' 14' ' ' LEU . 2.5 pt? -107.75 -166.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 63.25 110.896 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -54.91 84.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 62.01 112.478 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.823 HD21 HG11 ' A' ' 23' ' ' VAL . 53.4 t-20 -143.15 45.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 64.21 110.846 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.437 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 0.1 OUTLIER 66.41 -2.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 70.32 110.886 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 16' ' ' ASN . . . 78.76 13.68 82.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.78 -0.724 . . . . 64.12 112.515 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -58.73 -175.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.905 0.383 . . . . 75.42 110.897 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.04 -174.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.494 . . . . 54.44 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -165.03 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 65.53 110.911 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.823 HG11 HD21 ' A' ' 16' ' ' ASN . 4.7 t -128.29 145.52 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 62.22 111.113 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.758 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -23.63 -35.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.392 . . . . 72.24 110.911 -179.149 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 24' ' ' DBB . 5.0 mt-10 -49.93 -48.9 51.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 73.13 110.917 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 24' ' ' DBB . 95.2 m -123.8 -15.21 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 70.5 110.89 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.489 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.0 ttp -128.07 113.22 20.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 71.1 110.896 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.0 Cg_endo -69.72 -14.14 35.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.679 2.253 . . . . 63.24 112.362 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -78.55 27.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 53.21 110.875 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.21 134.35 35.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.852 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 72.02 110.859 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . 0.568 ' H43' ' O1 ' ' A' ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.462 ' N ' HD13 ' A' ' 2' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.691 0.282 . . . . 72.32 111.127 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.481 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' CD1' ' O1 ' ' A' ' 1' ' ' 2KT . 10.1 mp -30.63 129.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 74.34 110.927 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.457 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.457 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 98.6 m -67.33 -62.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.752 -0.658 . . . . 74.43 110.873 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.26 1.25 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 51.12 111.124 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mt -96.01 -46.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 71.24 111.115 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' O ' ' HB3' ' A' ' 11' ' ' DAL . 2.5 tp -96.26 23.8 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 74.43 110.93 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.42 ' HB3' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.74 143.78 0.44 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 75.34 110.885 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 53.5 Cg_endo -69.81 165.34 31.36 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 63.34 112.346 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.684 ' C ' HD12 ' A' ' 14' ' ' LEU . 2.9 pp 42.16 -167.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.23 110.914 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.528 ' N ' HD12 ' A' ' 14' ' ' LEU . . . 102.11 -163.1 17.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 43.24 112.474 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 18' ' ' GLY . 36.8 t-20 -96.01 109.64 22.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 73.4 110.865 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.555 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 0.3 OUTLIER 49.64 -85.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.857 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.554 ' N ' ' CG ' ' A' ' 17' ' ' ASN . . . 127.9 87.52 0.57 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 71.43 112.495 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -65.97 -173.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.901 0.382 . . . . 74.45 110.897 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 21' ' ' CYS . 1.7 tm? -68.89 126.28 29.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 72.32 110.949 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.821 ' O ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -85.79 -166.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 63.53 110.858 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 t -128.48 145.92 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 51.12 111.119 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.761 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' C ' ' O ' ' A' ' 24' ' ' DBB . 1.3 mttt -23.76 -35.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 65.44 110.878 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.761 ' N ' ' O ' ' A' ' 24' ' ' DBB . 4.9 mt-10 -50.14 -48.87 53.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.885 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' DBB . 80.1 m -123.29 -15.79 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 60.45 110.871 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.497 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 4.0 mtp -128.09 113.43 20.14 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.588 0.709 . . . . 70.43 110.88 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.0 Cg_endo -69.8 -14.43 35.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 71.45 112.299 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.8 t -78.72 27.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 74.11 110.846 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -92.8 147.92 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.493 . . . . 63.43 110.889 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.2 110.897 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.793 ' N ' HD13 ' A' ' 2' ' ' ILE . 1.1 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.7 0.286 . . . . 75.12 111.16 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.478 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 3' ' ' DBB . 5.5 mp -30.73 129.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 72.23 110.874 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.533 ' O ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.533 ' HG3' ' O ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.7 m -58.88 -52.62 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 63.43 110.829 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 13' ' ' PRO . . . -62.98 -8.08 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 64.03 111.092 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mt -98.1 -48.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 64.03 111.156 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.543 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -96.79 37.18 1.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.074 0.464 . . . . 63.51 110.916 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.514 ' HB2' ' O ' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.87 130.17 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 70.11 110.934 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.532 ' HB3' ' HB1' ' A' ' 8' ' ' ALA . 53.5 Cg_endo -69.79 165.72 30.06 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 72.51 112.31 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.71 -163.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 44.86 34.61 4.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 40.21 112.48 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 54.19 168.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 73.43 110.899 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 19' ' ' TYR . 8.5 t30 179.49 -76.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.867 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.12 5.57 2.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.459 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.472 ' HB2' ' ND2' ' A' ' 17' ' ' ASN . 3.8 t80 -75.83 -164.74 0.38 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.894 0.378 . . . . 64.02 110.931 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' A' ' 21' ' ' CYS . 57.2 tp -164.08 168.7 18.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 74.24 110.88 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.929 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -84.37 -168.94 2.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 63.43 110.885 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 21' ' ' CYS . 21.9 t -135.13 149.18 28.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 54.24 111.159 -179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.747 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.0 OUTLIER -24.12 -35.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.363 -0.381 . . . . 62.53 110.935 -179.125 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.747 ' N ' ' O ' ' A' ' 24' ' ' DBB . 6.4 mt-10 -49.95 -48.81 51.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 74.04 110.88 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.497 ' N ' ' O ' ' A' ' 24' ' ' DBB . 85.2 m -124.93 -14.14 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.21 110.839 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.479 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 8.0 tpp -128.08 113.09 20.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.581 0.705 . . . . 74.42 110.907 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' CYS . 54.1 Cg_endo -69.68 -13.82 35.43 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 62.14 112.398 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 t -78.65 27.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.855 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' H ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -93.9 87.97 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.898 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.86 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' 2KT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.665 0.269 . . . . 71.32 111.14 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' DBB . . . . . 0.475 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 3' ' ' DBB . 9.4 mp -30.78 129.41 0.12 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.269 -0.423 . . . . 41.43 110.93 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . 0.401 ' C ' ' HG3' ' A' ' 6' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' DBU . . . . . 0.401 ' HG3' ' C ' ' A' ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -59.93 -42.7 94.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.762 -0.653 . . . . 73.1 110.892 -178.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.4 -6.7 47.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 72.42 111.165 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 mt -96.4 -47.62 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.182 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.797 ' CD2' ' HG2' ' A' ' 22' ' ' DBB . 0.3 OUTLIER -96.72 19.14 12.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 70.31 110.882 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' DAL . . . . . 0.541 ' C ' ' HG2' ' A' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.541 ' HG2' ' C ' ' A' ' 11' ' ' DAL . 0.2 OUTLIER 46.06 52.08 10.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.576 0.703 . . . . 54.25 110.852 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 12' ' ' LYS . 54.1 Cg_endo -69.77 -163.45 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.681 2.254 . . . . 62.52 112.337 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.512 HD12 ' H ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -59.47 -163.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.926 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.512 ' H ' HD12 ' A' ' 14' ' ' LEU . . . -114.79 -12.4 10.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 61.51 112.478 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -141.08 57.25 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 73.41 110.904 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -176.76 127.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 53.21 110.868 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.63 10.25 70.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 11.42 112.5 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.511 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 2.6 t80 -65.81 -174.71 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.934 0.397 . . . . 71.55 110.879 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.511 ' HG ' ' CD2' ' A' ' 19' ' ' TYR . 4.1 pp -50.18 165.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.076 -0.511 . . . . 72.35 110.904 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 11' ' ' DAL . 0.1 OUTLIER -84.87 -169.03 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.859 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' DBB . . . . . 0.797 ' HG2' ' CD2' ' A' ' 10' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.5 t -145.28 144.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 75.22 111.18 -179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' DBB . . . . . 0.725 ' O ' ' N ' ' A' ' 26' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.547 ' C ' ' O ' ' A' ' 24' ' ' DBB . 0.1 OUTLIER -25.11 -35.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.332 -0.395 . . . . 71.54 110.931 -179.051 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.725 ' N ' ' O ' ' A' ' 24' ' ' DBB . 2.2 mt-10 -50.22 -48.89 54.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 72.51 110.901 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' DBB . 73.9 m -125.09 -13.42 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 72.04 110.842 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 2.8 mtp -128.54 113.83 19.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.521 0.676 . . . . 61.43 110.909 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 31' ' ' CYS . 53.6 Cg_endo -69.78 -13.03 34.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.28 . . . . 74.32 112.326 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -79.02 28.2 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.3 110.842 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' CB ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.17 135.46 37.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 53.44 110.879 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 75.42 110.879 -179.974 . . . . . . . . 0 0 . 1 stop_ save_