data_6be7_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 6be7 _Structure_validation_residue.Date_analyzed 2017-12-29 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.0 t0 . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -63.57 -25.96 69.64 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 O-C-N 124.834 1.965 . . . . 0.0 115.684 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 113.189 -3.291 . . . . 0.0 106.938 -166.494 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.89 -14.5 18.47 Favored 'Trans proline' 0 N--CA 1.442 -1.527 1 C-N-CA 125.562 4.175 . . . . 0.0 117.745 165.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -168.209 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.5 t0 . . . . . 0 N--CA 1.444 -0.727 0 CA-C-O 123.503 1.621 . . . . 0.0 107.815 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -26.94 55.79 Favored 'Trans proline' 0 N--CA 1.445 -1.344 0 O-C-N 116.548 -2.396 . . . . 0.0 111.455 176.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.258 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.675 0 CA-C-O 116.672 -1.632 . . . . 0.0 111.445 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 CA--C 1.513 -0.448 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -60.25 -20.52 62.66 Favored 'Trans proline' 0 N--CA 1.446 -1.303 0 C-N-CA 124.038 3.158 . . . . 0.0 113.915 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.453 -0.299 0 C-N-CA 129.044 2.938 . . . . 0.0 107.277 -175.848 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -61.53 -40.04 50.44 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 125.059 3.839 . . . . 0.0 117.227 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 115.964 -1.97 . . . . 0.0 108.174 -156.434 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.274 67.5 t0 . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -62.02 -21.88 73.21 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 O-C-N 115.772 -2.804 . . . . 0.0 114.283 172.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.6 m . . . . . 0 C--N 1.331 -0.223 0 O-C-N 116.571 -3.83 . . . . 0.0 106.713 -179.321 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.8 t0 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 116.401 -1.762 . . . . 0.0 106.781 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -62.02 -17.83 58.22 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 CA-C-N 123.668 2.346 . . . . 0.0 115.767 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 114.644 -2.598 . . . . 0.0 110.374 -170.544 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.6 t0 . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -9.44 26.14 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 CA-C-O 111.492 -3.628 . . . . 0.0 114.77 177.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.449 -0.498 1 CA-C-N 126.309 4.14 . . . . 0.0 108.563 167.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.2 t0 . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 117.903 -1.046 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -81.06 -17.89 9.1 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 CA-C-N 120.436 1.192 . . . . 0.0 109.646 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.632 0 O-C-N 118.844 -2.41 . . . . 0.0 112.641 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 t0 . . . . . 0 N--CA 1.444 -0.758 0 CA-C-O 114.356 -2.735 . . . . 0.0 108.027 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -62.42 -19.63 67.95 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 N-CA-C 118.496 2.46 . . . . 0.0 118.496 174.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 124.556 2.122 . . . . 0.0 110.89 -179.439 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 116.564 -1.684 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.34 -18.37 55.17 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 CA-C-O 125.605 2.252 . . . . 0.0 115.055 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.446 -0.657 0 O-C-N 117.985 -2.947 . . . . 0.0 110.295 -174.316 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.7 t0 . . . . . 0 N--CA 1.447 -0.615 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.277 33.9 Cg_exo -57.91 -17.41 30.3 Favored 'Trans proline' 0 N--CA 1.446 -1.275 1 C-N-CA 126.558 4.839 . . . . 0.0 113.541 170.468 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 115.244 -2.313 . . . . 0.0 108.103 -178.654 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.3 t0 . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 115.882 -2.009 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.312 17.9 Cg_exo -55.52 -31.06 76.94 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 N-CA-C 121.403 3.578 . . . . 0.0 121.403 177.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.442 -0.834 0 CA-C-N 112.039 -2.346 . . . . 0.0 105.784 -170.677 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 118.404 -0.808 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -65.83 -20.32 58.55 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 CA-C-O 115.046 -2.147 . . . . 0.0 113.086 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.443 -0.796 0 CA-C-N 122.863 2.574 . . . . 0.0 108.297 -162.889 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 123.344 1.545 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -60.25 -18.39 51.87 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 123.111 2.541 . . . . 0.0 113.46 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.445 -0.677 0 CA-C-N 121.557 1.98 . . . . 0.0 115.467 171.704 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 t0 . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.36 -23.45 65.38 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 CA-C-O 115.554 -1.936 . . . . 0.0 116.18 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.7 m . . . . . 0 CA--C 1.511 -0.522 0 O-C-N 126.88 2.613 . . . . 0.0 111.412 175.367 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 62.6 t0 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 119.583 -0.246 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -62.55 -21.81 73.28 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 123.157 2.571 . . . . 0.0 114.014 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 113.761 -3.019 . . . . 0.0 111.694 -168.651 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.1 t0 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 116.589 -1.672 . . . . 0.0 109.008 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.308 51.3 Cg_exo -39.25 -31.77 0.34 Allowed 'Trans proline' 0 N--CA 1.451 -1.023 1 C-N-CA 125.391 4.061 . . . . 0.0 117.638 158.74 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.441 -0.887 0 O-C-N 116.709 -3.744 . . . . 0.0 111.457 -172.372 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -81.16 -18.3 8.75 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 120.802 1.001 . . . . 0.0 113.632 173.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.7 m . . . . . 0 N--CA 1.446 -0.663 0 O-C-N 118.5 -2.625 . . . . 0.0 110.995 174.878 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.63 -41.11 6.47 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 CA-C-N 121.404 1.537 . . . . 0.0 110.637 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 CA--C 1.568 1.652 0 O-C-N 126.06 2.1 . . . . 0.0 112.071 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 CA--C 1.512 -0.511 0 CA-C-O 115.211 -2.328 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -82.91 128.62 64.92 Favored Pre-proline 0 N--CA 1.448 -0.547 0 O-C-N 125.756 1.91 . . . . 0.0 109.947 159.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -63.57 -25.96 69.64 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 O-C-N 124.834 1.965 . . . . 0.0 115.684 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -64.07 112.02 2.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 113.189 -3.291 . . . . 0.0 106.938 -166.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -67.29 -34.07 76.63 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 120.27 -1.519 . . . . 0.0 110.657 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.434 . . . . . . . 0 N--CA 1.448 -0.538 0 CA-C-N 122.831 2.56 . . . . 0.0 109.254 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 N--CA 1.448 -0.558 0 CA-C-O 116.459 -1.734 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -90.36 127.21 53.88 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 124.507 3.321 . . . . 0.0 108.083 167.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.89 -14.5 18.47 Favored 'Trans proline' 0 N--CA 1.442 -1.527 1 C-N-CA 125.562 4.175 . . . . 0.0 117.745 165.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.8 m -81.99 123.33 28.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -168.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -97.48 67.33 2.07 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 124.635 2.16 . . . . 0.0 108.058 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.408 . . . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 126.259 2.933 . . . . 0.0 111.605 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 117.477 -1.249 . . . . 0.0 111.517 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -85.95 120.01 72.29 Favored Pre-proline 0 N--CA 1.444 -0.727 0 CA-C-N 123.323 2.783 . . . . 0.0 107.815 163.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -26.94 55.79 Favored 'Trans proline' 0 N--CA 1.445 -1.344 0 O-C-N 116.548 -2.396 . . . . 0.0 111.455 176.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.258 0.2 OUTLIER -51.58 115.37 1.59 Allowed 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 116.672 -1.632 . . . . 0.0 111.445 -175.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -85.06 -5.23 59.35 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 126.565 2.415 . . . . 0.0 114.606 -167.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.39 . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 0.33 3.8 m-20 . . . . . 0 N--CA 1.447 -0.597 1 N-CA-C 124.108 4.855 . . . . 0.0 124.108 . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -113.53 134.0 22.07 Favored Pre-proline 0 CA--C 1.513 -0.448 0 C-N-CA 126.365 1.866 . . . . 0.0 107.688 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -60.25 -20.52 62.66 Favored 'Trans proline' 0 N--CA 1.446 -1.303 0 C-N-CA 124.038 3.158 . . . . 0.0 113.915 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.0 m -67.08 116.51 7.97 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 129.044 2.938 . . . . 0.0 107.277 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -97.67 77.91 2.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 123.797 1.76 . . . . 0.0 106.854 -172.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.409 . . . . . . . 0 C--N 1.327 -0.37 0 C-N-CA 124.617 1.167 . . . . 0.0 112.025 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 0.367 4.5 m-20 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -105.75 153.24 40.12 Favored Pre-proline 0 N--CA 1.444 -0.751 0 O-C-N 118.766 -2.459 . . . . 0.0 111.625 160.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -61.53 -40.04 50.44 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 125.059 3.839 . . . . 0.0 117.227 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -68.06 112.76 5.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 115.964 -1.97 . . . . 0.0 108.174 -156.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . 0.344 32.1 mt-30 -61.07 49.71 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 128.724 2.809 . . . . 0.0 117.16 169.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.339 . . . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 124.958 2.314 . . . . 0.0 112.788 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 117.038 -1.458 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.274 67.5 t0 -88.53 121.76 69.9 Favored Pre-proline 0 N--CA 1.451 -0.411 0 O-C-N 124.338 1.024 . . . . 0.0 110.42 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -62.02 -21.88 73.21 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 O-C-N 115.772 -2.804 . . . . 0.0 114.283 172.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.6 m -58.12 117.68 4.63 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 116.571 -3.83 . . . . 0.0 106.713 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . 0.302 33.5 mt-30 -82.09 50.87 1.65 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.457 . . . . . . . 0 N--CA 1.446 -0.673 0 O-C-N 119.17 -2.206 . . . . 0.0 107.912 170.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 115.965 -1.969 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -91.01 115.6 64.66 Favored Pre-proline 0 N--CA 1.456 -0.156 0 C-N-CA 128.946 2.898 . . . . 0.0 106.781 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -62.02 -17.83 58.22 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 CA-C-N 123.668 2.346 . . . . 0.0 115.767 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 m -65.16 108.34 1.84 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 114.644 -2.598 . . . . 0.0 110.374 -170.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -82.98 62.04 6.32 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 126.768 2.543 . . . . 0.0 113.599 175.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.529 . . . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 123.237 1.494 . . . . 0.0 110.194 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.4 p30 . . . . . 0 CA--C 1.517 -0.3 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -101.86 119.8 55.91 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 120.858 1.663 . . . . 0.0 109.822 159.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -9.44 26.14 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 CA-C-O 111.492 -3.628 . . . . 0.0 114.77 177.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -58.64 109.02 0.72 Allowed 'General case' 0 N--CA 1.449 -0.498 1 CA-C-N 126.309 4.14 . . . . 0.0 108.563 167.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -96.8 70.95 2.53 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 126.766 3.174 . . . . 0.0 109.223 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.364 . . . . . . . 0 C--O 1.237 0.414 0 O-C-N 117.737 -3.102 . . . . 0.0 109.366 169.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -70.5 133.04 87.16 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-N 123.35 2.796 . . . . 0.0 111.415 168.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -81.06 -17.89 9.1 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 CA-C-N 120.436 1.192 . . . . 0.0 109.646 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.78 120.12 12.99 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 118.844 -2.41 . . . . 0.0 112.641 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -92.74 59.83 3.33 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 125.209 2.433 . . . . 0.0 113.61 -172.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.389 . . . . . . . 0 N--CA 1.449 -0.49 0 CA-C-N 111.957 -2.383 . . . . 0.0 107.671 168.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 CA--C 1.513 -0.466 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -112.05 127.79 26.38 Favored Pre-proline 0 N--CA 1.444 -0.758 2 O-C-N 114.017 -5.427 . . . . 0.0 108.027 172.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -62.42 -19.63 67.95 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 N-CA-C 118.496 2.46 . . . . 0.0 118.496 174.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.4 m -51.89 110.9 0.52 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 124.556 2.122 . . . . 0.0 110.89 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -76.4 51.89 0.74 Allowed 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.843 2.457 . . . . 0.0 109.2 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.398 . . . . . . . 0 N--CA 1.45 -0.447 0 O-C-N 120.214 -1.554 . . . . 0.0 110.033 161.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.216 -0.683 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -87.11 129.82 50.42 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-O 116.564 -1.684 . . . . 0.0 110.834 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.34 -18.37 55.17 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 CA-C-O 125.605 2.252 . . . . 0.0 115.055 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -64.38 120.27 11.93 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 117.985 -2.947 . . . . 0.0 110.295 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -90.49 62.88 5.39 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.338 1.455 . . . . 0.0 107.769 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.343 . . . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.45 -0.468 0 CA-C-O 124.201 1.953 . . . . 0.0 115.469 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -123.19 124.77 26.37 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.032 -168.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.277 33.9 Cg_exo -57.91 -17.41 30.3 Favored 'Trans proline' 0 N--CA 1.446 -1.275 1 C-N-CA 126.558 4.839 . . . . 0.0 113.541 170.468 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -64.33 110.19 2.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 115.244 -2.313 . . . . 0.0 108.103 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -83.8 55.74 3.38 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 122.778 2.535 . . . . 0.0 111.959 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.355 . . . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 122.384 1.088 . . . . 0.0 108.873 169.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.443 -0.824 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -68.51 121.91 82.56 Favored Pre-proline 0 CA--C 1.518 -0.278 1 O-C-N 116.227 -4.046 . . . . 0.0 109.359 172.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.312 17.9 Cg_exo -55.52 -31.06 76.94 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 N-CA-C 121.403 3.578 . . . . 0.0 121.403 177.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m -55.51 117.06 3.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.039 -2.346 . . . . 0.0 105.784 -170.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -88.73 68.17 8.51 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 126.485 3.041 . . . . 0.0 110.692 172.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.374 . . . . . . . 0 N--CA 1.446 -0.674 0 O-C-N 117.043 -3.536 . . . . 0.0 108.966 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 124.713 2.197 . . . . 0.0 114.205 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -81.69 128.17 70.12 Favored Pre-proline 0 N--CA 1.443 -0.813 1 O-C-N 113.279 -5.888 . . . . 0.0 109.312 173.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -65.83 -20.32 58.55 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 CA-C-O 115.046 -2.147 . . . . 0.0 113.086 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.9 m -68.32 105.18 2.06 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 122.863 2.574 . . . . 0.0 108.297 -162.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -72.63 64.84 0.65 Allowed 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 118.539 -2.601 . . . . 0.0 110.455 170.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.396 . . . . . . . 0 C--N 1.326 -0.416 0 C-N-CA 129.985 3.314 . . . . 0.0 113.144 174.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -90.74 121.67 67.89 Favored Pre-proline 0 N--CA 1.442 -0.832 0 CA-C-O 123.344 1.545 . . . . 0.0 111.909 -175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -60.25 -18.39 51.87 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 123.111 2.541 . . . . 0.0 113.46 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.6 m -53.13 103.45 0.07 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 121.557 1.98 . . . . 0.0 115.467 171.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -75.71 61.41 1.38 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 117.422 -1.275 . . . . 0.0 113.033 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.464 . . . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 128.498 3.999 . . . . 0.0 110.159 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -110.1 132.02 21.68 Favored Pre-proline 0 N--CA 1.451 -0.402 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 167.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.36 -23.45 65.38 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 CA-C-O 115.554 -1.936 . . . . 0.0 116.18 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.7 m -53.42 117.85 3.4 Favored 'General case' 0 CA--C 1.511 -0.522 0 O-C-N 126.88 2.613 . . . . 0.0 111.412 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -84.4 68.04 10.1 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.932 2.493 . . . . 0.0 108.728 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.413 . . . . . . . 0 N--CA 1.446 -0.674 0 CA-C-O 125.67 2.652 . . . . 0.0 106.728 163.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 117.556 2.428 . . . . 0.0 117.556 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -77.81 122.24 85.34 Favored Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-N 118.279 0.49 . . . . 0.0 110.776 167.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -62.55 -21.81 73.28 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 123.157 2.571 . . . . 0.0 114.014 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.4 m -69.33 116.76 10.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 113.761 -3.019 . . . . 0.0 111.694 -168.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.54 -14.54 62.45 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 116.857 -3.652 . . . . 0.0 114.722 -171.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.414 . . . . . . . 0 CA--C 1.516 -0.36 0 CA-C-N 122.225 2.284 . . . . 0.0 111.663 -166.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -95.94 122.91 57.21 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-O 116.589 -1.672 . . . . 0.0 109.008 171.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.308 51.3 Cg_exo -39.25 -31.77 0.34 Allowed 'Trans proline' 0 N--CA 1.451 -1.023 1 C-N-CA 125.391 4.061 . . . . 0.0 117.638 158.74 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m -60.52 110.01 1.16 Allowed 'General case' 0 N--CA 1.441 -0.887 0 O-C-N 116.709 -3.744 . . . . 0.0 111.457 -172.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -77.4 63.63 2.61 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 173.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.392 . . . . . . . 0 N--CA 1.446 -0.632 0 CA-C-O 115.663 -2.113 . . . . 0.0 115.23 -175.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -106.46 142.09 24.19 Favored Pre-proline 0 N--CA 1.447 -0.621 0 C-N-CA 130.055 3.342 . . . . 0.0 108.994 173.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -81.16 -18.3 8.75 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 120.802 1.001 . . . . 0.0 113.632 173.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.7 m -53.27 115.02 1.69 Allowed 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 118.5 -2.625 . . . . 0.0 110.995 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -69.19 -28.41 66.37 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 118.149 -2.845 . . . . 0.0 112.772 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.532 . . . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 104.857 -2.275 . . . . 0.0 104.857 174.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.235 0.329 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.53 152.08 49.03 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.081 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.63 -41.11 6.47 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 CA-C-N 121.404 1.537 . . . . 0.0 110.637 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -28.36 97.48 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.652 0 O-C-N 126.06 2.1 . . . . 0.0 112.071 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.01 94.11 0.13 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 118.22 -1.392 . . . . 0.0 112.182 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.433 . . . . . . . 0 C--O 1.232 0.163 0 CA-C-N 114.373 -1.285 . . . . 0.0 112.438 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.0 t0 . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -63.57 -25.96 69.64 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 O-C-N 124.834 1.965 . . . . 0.0 115.684 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 113.189 -3.291 . . . . 0.0 106.938 -166.494 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.89 -14.5 18.47 Favored 'Trans proline' 0 N--CA 1.442 -1.527 1 C-N-CA 125.562 4.175 . . . . 0.0 117.745 165.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -168.209 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.5 t0 . . . . . 0 N--CA 1.444 -0.727 0 CA-C-O 123.503 1.621 . . . . 0.0 107.815 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -26.94 55.79 Favored 'Trans proline' 0 N--CA 1.445 -1.344 0 O-C-N 116.548 -2.396 . . . . 0.0 111.455 176.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.258 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.675 0 CA-C-O 116.672 -1.632 . . . . 0.0 111.445 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 CA--C 1.513 -0.448 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -60.25 -20.52 62.66 Favored 'Trans proline' 0 N--CA 1.446 -1.303 0 C-N-CA 124.038 3.158 . . . . 0.0 113.915 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.453 -0.299 0 C-N-CA 129.044 2.938 . . . . 0.0 107.277 -175.848 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.455 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 9.9 t70 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 2' ' ' ASP . 80.0 Cg_exo -61.53 -40.04 50.44 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 125.059 3.839 . . . . 0.0 117.227 169.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 115.964 -1.97 . . . . 0.0 108.174 -156.434 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.274 67.5 t0 . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -62.02 -21.88 73.21 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 O-C-N 115.772 -2.804 . . . . 0.0 114.283 172.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.6 m . . . . . 0 C--N 1.331 -0.223 0 O-C-N 116.571 -3.83 . . . . 0.0 106.713 -179.321 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.8 t0 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 116.401 -1.762 . . . . 0.0 106.781 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -62.02 -17.83 58.22 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 CA-C-N 123.668 2.346 . . . . 0.0 115.767 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 114.644 -2.598 . . . . 0.0 110.374 -170.544 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.6 t0 . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -9.44 26.14 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 CA-C-O 111.492 -3.628 . . . . 0.0 114.77 177.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.449 -0.498 1 CA-C-N 126.309 4.14 . . . . 0.0 108.563 167.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.2 t0 . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 117.903 -1.046 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -81.06 -17.89 9.1 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 CA-C-N 120.436 1.192 . . . . 0.0 109.646 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.632 0 O-C-N 118.844 -2.41 . . . . 0.0 112.641 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 t0 . . . . . 0 N--CA 1.444 -0.758 0 CA-C-O 114.356 -2.735 . . . . 0.0 108.027 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -62.42 -19.63 67.95 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 N-CA-C 118.496 2.46 . . . . 0.0 118.496 174.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 124.556 2.122 . . . . 0.0 110.89 -179.439 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 116.564 -1.684 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.34 -18.37 55.17 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 CA-C-O 125.605 2.252 . . . . 0.0 115.055 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.446 -0.657 0 O-C-N 117.985 -2.947 . . . . 0.0 110.295 -174.316 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.7 t0 . . . . . 0 N--CA 1.447 -0.615 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.277 33.9 Cg_exo -57.91 -17.41 30.3 Favored 'Trans proline' 0 N--CA 1.446 -1.275 1 C-N-CA 126.558 4.839 . . . . 0.0 113.541 170.468 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 115.244 -2.313 . . . . 0.0 108.103 -178.654 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.3 t0 . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 115.882 -2.009 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.312 17.9 Cg_exo -55.52 -31.06 76.94 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 N-CA-C 121.403 3.578 . . . . 0.0 121.403 177.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.442 -0.834 0 CA-C-N 112.039 -2.346 . . . . 0.0 105.784 -170.677 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 118.404 -0.808 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -65.83 -20.32 58.55 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 CA-C-O 115.046 -2.147 . . . . 0.0 113.086 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.443 -0.796 0 CA-C-N 122.863 2.574 . . . . 0.0 108.297 -162.889 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 123.344 1.545 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -60.25 -18.39 51.87 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 123.111 2.541 . . . . 0.0 113.46 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.445 -0.677 0 CA-C-N 121.557 1.98 . . . . 0.0 115.467 171.704 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 t0 . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.36 -23.45 65.38 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 CA-C-O 115.554 -1.936 . . . . 0.0 116.18 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.7 m . . . . . 0 CA--C 1.511 -0.522 0 O-C-N 126.88 2.613 . . . . 0.0 111.412 175.367 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' ' 3' ' ' PRO . 62.6 t0 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 119.583 -0.246 . . . . 0.0 110.776 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 2' ' ' ASP . 64.6 Cg_endo -62.55 -21.81 73.28 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 123.157 2.571 . . . . 0.0 114.014 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 113.761 -3.019 . . . . 0.0 111.694 -168.651 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.1 t0 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 116.589 -1.672 . . . . 0.0 109.008 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.308 51.3 Cg_exo -39.25 -31.77 0.34 Allowed 'Trans proline' 0 N--CA 1.451 -1.023 1 C-N-CA 125.391 4.061 . . . . 0.0 117.638 158.74 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.441 -0.887 0 O-C-N 116.709 -3.744 . . . . 0.0 111.457 -172.372 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.438 ' OD1' ' HD2' ' A' ' 3' ' ' PRO . 4.4 t0 . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.438 ' HD2' ' OD1' ' A' ' 2' ' ' ASP . 39.4 Cg_endo -81.16 -18.3 8.75 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 120.802 1.001 . . . . 0.0 113.632 173.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.7 m . . . . . 0 N--CA 1.446 -0.663 0 O-C-N 118.5 -2.625 . . . . 0.0 110.995 174.878 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.63 -41.11 6.47 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 CA-C-N 121.404 1.537 . . . . 0.0 110.637 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 CA--C 1.568 1.652 0 O-C-N 126.06 2.1 . . . . 0.0 112.071 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 CA--C 1.512 -0.511 0 CA-C-O 115.211 -2.328 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -82.91 128.62 64.92 Favored Pre-proline 0 N--CA 1.448 -0.547 0 O-C-N 125.756 1.91 . . . . 0.0 109.947 159.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -63.57 -25.96 69.64 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 O-C-N 124.834 1.965 . . . . 0.0 115.684 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -64.07 112.02 2.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 113.189 -3.291 . . . . 0.0 106.938 -166.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -67.29 -34.07 76.63 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 120.27 -1.519 . . . . 0.0 110.657 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.434 . . . . . . . 0 N--CA 1.448 -0.538 0 CA-C-N 122.831 2.56 . . . . 0.0 109.254 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 N--CA 1.448 -0.558 0 CA-C-O 116.459 -1.734 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -90.36 127.21 53.88 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 124.507 3.321 . . . . 0.0 108.083 167.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.89 -14.5 18.47 Favored 'Trans proline' 0 N--CA 1.442 -1.527 1 C-N-CA 125.562 4.175 . . . . 0.0 117.745 165.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.8 m -81.99 123.33 28.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -168.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -97.48 67.33 2.07 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 124.635 2.16 . . . . 0.0 108.058 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.408 . . . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 126.259 2.933 . . . . 0.0 111.605 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 117.477 -1.249 . . . . 0.0 111.517 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -85.95 120.01 72.29 Favored Pre-proline 0 N--CA 1.444 -0.727 0 CA-C-N 123.323 2.783 . . . . 0.0 107.815 163.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -26.94 55.79 Favored 'Trans proline' 0 N--CA 1.445 -1.344 0 O-C-N 116.548 -2.396 . . . . 0.0 111.455 176.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.258 0.2 OUTLIER -51.58 115.37 1.59 Allowed 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 116.672 -1.632 . . . . 0.0 111.445 -175.62 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -85.06 -5.23 59.35 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 126.565 2.415 . . . . 0.0 114.606 -167.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.39 . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 0.33 3.8 m-20 . . . . . 0 N--CA 1.447 -0.597 1 N-CA-C 124.108 4.855 . . . . 0.0 124.108 . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -113.53 134.0 22.07 Favored Pre-proline 0 CA--C 1.513 -0.448 0 C-N-CA 126.365 1.866 . . . . 0.0 107.688 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -60.25 -20.52 62.66 Favored 'Trans proline' 0 N--CA 1.446 -1.303 0 C-N-CA 124.038 3.158 . . . . 0.0 113.915 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.0 m -67.08 116.51 7.97 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 129.044 2.938 . . . . 0.0 107.277 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -97.67 77.91 2.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 123.797 1.76 . . . . 0.0 106.854 -172.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.409 . . . . . . . 0 C--N 1.327 -0.37 0 C-N-CA 124.617 1.167 . . . . 0.0 112.025 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 0.367 4.5 m-20 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.455 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 9.9 t70 -105.75 153.24 40.12 Favored Pre-proline 0 N--CA 1.444 -0.751 0 O-C-N 118.766 -2.459 . . . . 0.0 111.625 160.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 2' ' ' ASP . 80.0 Cg_exo -61.53 -40.04 50.44 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 125.059 3.839 . . . . 0.0 117.227 169.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -68.06 112.76 5.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 115.964 -1.97 . . . . 0.0 108.174 -156.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . 0.344 32.1 mt-30 -61.07 49.71 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 128.724 2.809 . . . . 0.0 117.16 169.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.339 . . . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 124.958 2.314 . . . . 0.0 112.788 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 117.038 -1.458 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.274 67.5 t0 -88.53 121.76 69.9 Favored Pre-proline 0 N--CA 1.451 -0.411 0 O-C-N 124.338 1.024 . . . . 0.0 110.42 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -62.02 -21.88 73.21 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 O-C-N 115.772 -2.804 . . . . 0.0 114.283 172.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.6 m -58.12 117.68 4.63 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 116.571 -3.83 . . . . 0.0 106.713 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . 0.302 33.5 mt-30 -82.09 50.87 1.65 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.457 . . . . . . . 0 N--CA 1.446 -0.673 0 O-C-N 119.17 -2.206 . . . . 0.0 107.912 170.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 115.965 -1.969 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -91.01 115.6 64.66 Favored Pre-proline 0 N--CA 1.456 -0.156 0 C-N-CA 128.946 2.898 . . . . 0.0 106.781 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -62.02 -17.83 58.22 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 CA-C-N 123.668 2.346 . . . . 0.0 115.767 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 m -65.16 108.34 1.84 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 114.644 -2.598 . . . . 0.0 110.374 -170.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -82.98 62.04 6.32 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 126.768 2.543 . . . . 0.0 113.599 175.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.529 . . . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 123.237 1.494 . . . . 0.0 110.194 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.4 p30 . . . . . 0 CA--C 1.517 -0.3 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -101.86 119.8 55.91 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 120.858 1.663 . . . . 0.0 109.822 159.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -9.44 26.14 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 CA-C-O 111.492 -3.628 . . . . 0.0 114.77 177.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -58.64 109.02 0.72 Allowed 'General case' 0 N--CA 1.449 -0.498 1 CA-C-N 126.309 4.14 . . . . 0.0 108.563 167.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -96.8 70.95 2.53 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 126.766 3.174 . . . . 0.0 109.223 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.364 . . . . . . . 0 C--O 1.237 0.414 0 O-C-N 117.737 -3.102 . . . . 0.0 109.366 169.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -70.5 133.04 87.16 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-N 123.35 2.796 . . . . 0.0 111.415 168.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -81.06 -17.89 9.1 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 CA-C-N 120.436 1.192 . . . . 0.0 109.646 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.78 120.12 12.99 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 118.844 -2.41 . . . . 0.0 112.641 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -92.74 59.83 3.33 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 125.209 2.433 . . . . 0.0 113.61 -172.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.389 . . . . . . . 0 N--CA 1.449 -0.49 0 CA-C-N 111.957 -2.383 . . . . 0.0 107.671 168.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 CA--C 1.513 -0.466 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -112.05 127.79 26.38 Favored Pre-proline 0 N--CA 1.444 -0.758 2 O-C-N 114.017 -5.427 . . . . 0.0 108.027 172.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -62.42 -19.63 67.95 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 N-CA-C 118.496 2.46 . . . . 0.0 118.496 174.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.4 m -51.89 110.9 0.52 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 124.556 2.122 . . . . 0.0 110.89 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -76.4 51.89 0.74 Allowed 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.843 2.457 . . . . 0.0 109.2 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.398 . . . . . . . 0 N--CA 1.45 -0.447 0 O-C-N 120.214 -1.554 . . . . 0.0 110.033 161.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.216 -0.683 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -87.11 129.82 50.42 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-O 116.564 -1.684 . . . . 0.0 110.834 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.34 -18.37 55.17 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 CA-C-O 125.605 2.252 . . . . 0.0 115.055 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -64.38 120.27 11.93 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 117.985 -2.947 . . . . 0.0 110.295 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -90.49 62.88 5.39 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.338 1.455 . . . . 0.0 107.769 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.343 . . . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.45 -0.468 0 CA-C-O 124.201 1.953 . . . . 0.0 115.469 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -123.19 124.77 26.37 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.032 -168.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.277 33.9 Cg_exo -57.91 -17.41 30.3 Favored 'Trans proline' 0 N--CA 1.446 -1.275 1 C-N-CA 126.558 4.839 . . . . 0.0 113.541 170.468 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -64.33 110.19 2.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 115.244 -2.313 . . . . 0.0 108.103 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -83.8 55.74 3.38 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 122.778 2.535 . . . . 0.0 111.959 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.355 . . . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 122.384 1.088 . . . . 0.0 108.873 169.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.443 -0.824 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -68.51 121.91 82.56 Favored Pre-proline 0 CA--C 1.518 -0.278 1 O-C-N 116.227 -4.046 . . . . 0.0 109.359 172.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.312 17.9 Cg_exo -55.52 -31.06 76.94 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 N-CA-C 121.403 3.578 . . . . 0.0 121.403 177.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m -55.51 117.06 3.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.039 -2.346 . . . . 0.0 105.784 -170.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -88.73 68.17 8.51 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 126.485 3.041 . . . . 0.0 110.692 172.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.374 . . . . . . . 0 N--CA 1.446 -0.674 0 O-C-N 117.043 -3.536 . . . . 0.0 108.966 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 124.713 2.197 . . . . 0.0 114.205 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -81.69 128.17 70.12 Favored Pre-proline 0 N--CA 1.443 -0.813 1 O-C-N 113.279 -5.888 . . . . 0.0 109.312 173.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -65.83 -20.32 58.55 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 CA-C-O 115.046 -2.147 . . . . 0.0 113.086 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.9 m -68.32 105.18 2.06 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 122.863 2.574 . . . . 0.0 108.297 -162.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -72.63 64.84 0.65 Allowed 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 118.539 -2.601 . . . . 0.0 110.455 170.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.396 . . . . . . . 0 C--N 1.326 -0.416 0 C-N-CA 129.985 3.314 . . . . 0.0 113.144 174.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -90.74 121.67 67.89 Favored Pre-proline 0 N--CA 1.442 -0.832 0 CA-C-O 123.344 1.545 . . . . 0.0 111.909 -175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -60.25 -18.39 51.87 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 123.111 2.541 . . . . 0.0 113.46 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' A' ' 5' ' ' DPR . 16.6 m -53.13 103.45 0.07 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 121.557 1.98 . . . . 0.0 115.467 171.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' DPR . . . . . 0.449 ' HD3' ' HA ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -75.71 61.41 1.38 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 117.422 -1.275 . . . . 0.0 113.033 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.464 . . . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 128.498 3.999 . . . . 0.0 110.159 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -110.1 132.02 21.68 Favored Pre-proline 0 N--CA 1.451 -0.402 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 167.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.36 -23.45 65.38 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 CA-C-O 115.554 -1.936 . . . . 0.0 116.18 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.7 m -53.42 117.85 3.4 Favored 'General case' 0 CA--C 1.511 -0.522 0 O-C-N 126.88 2.613 . . . . 0.0 111.412 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -84.4 68.04 10.1 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.932 2.493 . . . . 0.0 108.728 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.413 . . . . . . . 0 N--CA 1.446 -0.674 0 CA-C-O 125.67 2.652 . . . . 0.0 106.728 163.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 117.556 2.428 . . . . 0.0 117.556 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' ' 3' ' ' PRO . 62.6 t0 -77.81 122.24 85.34 Favored Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-N 118.279 0.49 . . . . 0.0 110.776 167.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 2' ' ' ASP . 64.6 Cg_endo -62.55 -21.81 73.28 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 123.157 2.571 . . . . 0.0 114.014 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.4 m -69.33 116.76 10.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 113.761 -3.019 . . . . 0.0 111.694 -168.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.54 -14.54 62.45 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 116.857 -3.652 . . . . 0.0 114.722 -171.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.414 . . . . . . . 0 CA--C 1.516 -0.36 0 CA-C-N 122.225 2.284 . . . . 0.0 111.663 -166.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -95.94 122.91 57.21 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-O 116.589 -1.672 . . . . 0.0 109.008 171.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.308 51.3 Cg_exo -39.25 -31.77 0.34 Allowed 'Trans proline' 0 N--CA 1.451 -1.023 1 C-N-CA 125.391 4.061 . . . . 0.0 117.638 158.74 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m -60.52 110.01 1.16 Allowed 'General case' 0 N--CA 1.441 -0.887 0 O-C-N 116.709 -3.744 . . . . 0.0 111.457 -172.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -77.4 63.63 2.61 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 173.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.392 . . . . . . . 0 N--CA 1.446 -0.632 0 CA-C-O 115.663 -2.113 . . . . 0.0 115.23 -175.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' OD1' ' HD2' ' A' ' 3' ' ' PRO . 4.4 t0 -106.46 142.09 24.19 Favored Pre-proline 0 N--CA 1.447 -0.621 0 C-N-CA 130.055 3.342 . . . . 0.0 108.994 173.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.438 ' HD2' ' OD1' ' A' ' 2' ' ' ASP . 39.4 Cg_endo -81.16 -18.3 8.75 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 120.802 1.001 . . . . 0.0 113.632 173.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.7 m -53.27 115.02 1.69 Allowed 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 118.5 -2.625 . . . . 0.0 110.995 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -69.19 -28.41 66.37 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 118.149 -2.845 . . . . 0.0 112.772 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.532 . . . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 104.857 -2.275 . . . . 0.0 104.857 174.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.235 0.329 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.53 152.08 49.03 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.081 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.63 -41.11 6.47 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 CA-C-N 121.404 1.537 . . . . 0.0 110.637 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -28.36 97.48 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.652 0 O-C-N 126.06 2.1 . . . . 0.0 112.071 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.01 94.11 0.13 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 118.22 -1.392 . . . . 0.0 112.182 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.433 . . . . . . . 0 C--O 1.232 0.163 0 CA-C-N 114.373 -1.285 . . . . 0.0 112.438 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.0 t0 . . . . . 0 N--CA 1.448 -0.547 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -63.57 -25.96 69.64 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 O-C-N 124.834 1.965 . . . . 0.0 115.684 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 113.189 -3.291 . . . . 0.0 106.938 -166.494 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.89 -14.5 18.47 Favored 'Trans proline' 0 N--CA 1.442 -1.527 1 C-N-CA 125.562 4.175 . . . . 0.0 117.745 165.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.8 m . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -168.209 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.5 t0 . . . . . 0 N--CA 1.444 -0.727 0 CA-C-O 123.503 1.621 . . . . 0.0 107.815 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -26.94 55.79 Favored 'Trans proline' 0 N--CA 1.445 -1.344 0 O-C-N 116.548 -2.396 . . . . 0.0 111.455 176.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.258 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.675 0 CA-C-O 116.672 -1.632 . . . . 0.0 111.445 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 t70 . . . . . 0 CA--C 1.513 -0.448 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -60.25 -20.52 62.66 Favored 'Trans proline' 0 N--CA 1.446 -1.303 0 C-N-CA 124.038 3.158 . . . . 0.0 113.915 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.453 -0.299 0 C-N-CA 129.044 2.938 . . . . 0.0 107.277 -175.848 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.455 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 9.9 t70 . . . . . 0 N--CA 1.444 -0.751 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 2' ' ' ASP . 80.0 Cg_exo -61.53 -40.04 50.44 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 125.059 3.839 . . . . 0.0 117.227 169.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 115.964 -1.97 . . . . 0.0 108.174 -156.434 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.274 67.5 t0 . . . . . 0 N--CA 1.451 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -62.02 -21.88 73.21 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 O-C-N 115.772 -2.804 . . . . 0.0 114.283 172.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.6 m . . . . . 0 C--N 1.331 -0.223 0 O-C-N 116.571 -3.83 . . . . 0.0 106.713 -179.321 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.8 t0 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 116.401 -1.762 . . . . 0.0 106.781 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -62.02 -17.83 58.22 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 CA-C-N 123.668 2.346 . . . . 0.0 115.767 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 114.644 -2.598 . . . . 0.0 110.374 -170.544 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.6 t0 . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -9.44 26.14 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 CA-C-O 111.492 -3.628 . . . . 0.0 114.77 177.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.449 -0.498 1 CA-C-N 126.309 4.14 . . . . 0.0 108.563 167.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.2 t0 . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 117.903 -1.046 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -81.06 -17.89 9.1 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 CA-C-N 120.436 1.192 . . . . 0.0 109.646 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.632 0 O-C-N 118.844 -2.41 . . . . 0.0 112.641 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 t0 . . . . . 0 N--CA 1.444 -0.758 0 CA-C-O 114.356 -2.735 . . . . 0.0 108.027 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -62.42 -19.63 67.95 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 N-CA-C 118.496 2.46 . . . . 0.0 118.496 174.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.445 -0.677 0 CA-C-O 124.556 2.122 . . . . 0.0 110.89 -179.439 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 116.564 -1.684 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.34 -18.37 55.17 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 CA-C-O 125.605 2.252 . . . . 0.0 115.055 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.446 -0.657 0 O-C-N 117.985 -2.947 . . . . 0.0 110.295 -174.316 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.7 t0 . . . . . 0 N--CA 1.447 -0.615 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.277 33.9 Cg_exo -57.91 -17.41 30.3 Favored 'Trans proline' 0 N--CA 1.446 -1.275 1 C-N-CA 126.558 4.839 . . . . 0.0 113.541 170.468 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 115.244 -2.313 . . . . 0.0 108.103 -178.654 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.3 t0 . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 115.882 -2.009 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.312 17.9 Cg_exo -55.52 -31.06 76.94 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 N-CA-C 121.403 3.578 . . . . 0.0 121.403 177.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.442 -0.834 0 CA-C-N 112.039 -2.346 . . . . 0.0 105.784 -170.677 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 118.404 -0.808 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -65.83 -20.32 58.55 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 CA-C-O 115.046 -2.147 . . . . 0.0 113.086 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.443 -0.796 0 CA-C-N 122.863 2.574 . . . . 0.0 108.297 -162.889 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 123.344 1.545 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -60.25 -18.39 51.87 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 123.111 2.541 . . . . 0.0 113.46 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.445 -0.677 0 CA-C-N 121.557 1.98 . . . . 0.0 115.467 171.704 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 t0 . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.36 -23.45 65.38 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 CA-C-O 115.554 -1.936 . . . . 0.0 116.18 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.7 m . . . . . 0 CA--C 1.511 -0.522 0 O-C-N 126.88 2.613 . . . . 0.0 111.412 175.367 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' ' 3' ' ' PRO . 62.6 t0 . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 119.583 -0.246 . . . . 0.0 110.776 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 2' ' ' ASP . 64.6 Cg_endo -62.55 -21.81 73.28 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 123.157 2.571 . . . . 0.0 114.014 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 113.761 -3.019 . . . . 0.0 111.694 -168.651 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.1 t0 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 116.589 -1.672 . . . . 0.0 109.008 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.308 51.3 Cg_exo -39.25 -31.77 0.34 Allowed 'Trans proline' 0 N--CA 1.451 -1.023 1 C-N-CA 125.391 4.061 . . . . 0.0 117.638 158.74 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.441 -0.887 0 O-C-N 116.709 -3.744 . . . . 0.0 111.457 -172.372 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.438 ' OD1' ' HD2' ' A' ' 3' ' ' PRO . 4.4 t0 . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.438 ' HD2' ' OD1' ' A' ' 2' ' ' ASP . 39.4 Cg_endo -81.16 -18.3 8.75 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 120.802 1.001 . . . . 0.0 113.632 173.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.7 m . . . . . 0 N--CA 1.446 -0.663 0 O-C-N 118.5 -2.625 . . . . 0.0 110.995 174.878 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.63 -41.11 6.47 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 CA-C-N 121.404 1.537 . . . . 0.0 110.637 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 CA--C 1.568 1.652 0 O-C-N 126.06 2.1 . . . . 0.0 112.071 179.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 CA--C 1.512 -0.511 0 CA-C-O 115.211 -2.328 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -82.91 128.62 64.92 Favored Pre-proline 0 N--CA 1.448 -0.547 0 O-C-N 125.756 1.91 . . . . 0.0 109.947 159.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -63.57 -25.96 69.64 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 O-C-N 124.834 1.965 . . . . 0.0 115.684 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -64.07 112.02 2.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 113.189 -3.291 . . . . 0.0 106.938 -166.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -67.29 -34.07 76.63 Favored 'General case' 0 N--CA 1.443 -0.796 0 O-C-N 120.27 -1.519 . . . . 0.0 110.657 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.434 . . . . . . . 0 N--CA 1.448 -0.538 0 CA-C-N 122.831 2.56 . . . . 0.0 109.254 -175.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 N--CA 1.448 -0.558 0 CA-C-O 116.459 -1.734 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -90.36 127.21 53.88 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 124.507 3.321 . . . . 0.0 108.083 167.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.89 -14.5 18.47 Favored 'Trans proline' 0 N--CA 1.442 -1.527 1 C-N-CA 125.562 4.175 . . . . 0.0 117.745 165.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.8 m -81.99 123.33 28.8 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -168.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -97.48 67.33 2.07 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-O 124.635 2.16 . . . . 0.0 108.058 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.408 . . . . . . . 0 N--CA 1.45 -0.445 0 CA-C-O 126.259 2.933 . . . . 0.0 111.605 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 117.477 -1.249 . . . . 0.0 111.517 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -85.95 120.01 72.29 Favored Pre-proline 0 N--CA 1.444 -0.727 0 CA-C-N 123.323 2.783 . . . . 0.0 107.815 163.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -26.94 55.79 Favored 'Trans proline' 0 N--CA 1.445 -1.344 0 O-C-N 116.548 -2.396 . . . . 0.0 111.455 176.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . 0.258 0.2 OUTLIER -51.58 115.37 1.59 Allowed 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 116.672 -1.632 . . . . 0.0 111.445 -175.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -85.06 -5.23 59.35 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 126.565 2.415 . . . . 0.0 114.606 -167.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.39 . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 0.33 3.8 m-20 . . . . . 0 N--CA 1.447 -0.597 1 N-CA-C 124.108 4.855 . . . . 0.0 124.108 . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -113.53 134.0 22.07 Favored Pre-proline 0 CA--C 1.513 -0.448 0 C-N-CA 126.365 1.866 . . . . 0.0 107.688 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -60.25 -20.52 62.66 Favored 'Trans proline' 0 N--CA 1.446 -1.303 0 C-N-CA 124.038 3.158 . . . . 0.0 113.915 170.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.0 m -67.08 116.51 7.97 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 129.044 2.938 . . . . 0.0 107.277 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -97.67 77.91 2.59 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 123.797 1.76 . . . . 0.0 106.854 -172.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.409 . . . . . . . 0 C--N 1.327 -0.37 0 C-N-CA 124.617 1.167 . . . . 0.0 112.025 -176.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 0.367 4.5 m-20 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.455 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 9.9 t70 -105.75 153.24 40.12 Favored Pre-proline 0 N--CA 1.444 -0.751 0 O-C-N 118.766 -2.459 . . . . 0.0 111.625 160.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 2' ' ' ASP . 80.0 Cg_exo -61.53 -40.04 50.44 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 125.059 3.839 . . . . 0.0 117.227 169.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -68.06 112.76 5.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 115.964 -1.97 . . . . 0.0 108.174 -156.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . 0.344 32.1 mt-30 -61.07 49.71 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 128.724 2.809 . . . . 0.0 117.16 169.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.339 . . . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 124.958 2.314 . . . . 0.0 112.788 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 117.038 -1.458 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.274 67.5 t0 -88.53 121.76 69.9 Favored Pre-proline 0 N--CA 1.451 -0.411 0 O-C-N 124.338 1.024 . . . . 0.0 110.42 177.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -62.02 -21.88 73.21 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 O-C-N 115.772 -2.804 . . . . 0.0 114.283 172.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.6 m -58.12 117.68 4.63 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 116.571 -3.83 . . . . 0.0 106.713 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . 0.302 33.5 mt-30 -82.09 50.87 1.65 Allowed 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.457 . . . . . . . 0 N--CA 1.446 -0.673 0 O-C-N 119.17 -2.206 . . . . 0.0 107.912 170.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 115.965 -1.969 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -91.01 115.6 64.66 Favored Pre-proline 0 N--CA 1.456 -0.156 0 C-N-CA 128.946 2.898 . . . . 0.0 106.781 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -62.02 -17.83 58.22 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 CA-C-N 123.668 2.346 . . . . 0.0 115.767 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 m -65.16 108.34 1.84 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 114.644 -2.598 . . . . 0.0 110.374 -170.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -82.98 62.04 6.32 Favored 'General case' 0 C--O 1.224 -0.24 0 O-C-N 126.768 2.543 . . . . 0.0 113.599 175.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.529 . . . . . . . 0 N--CA 1.45 -0.449 0 CA-C-O 123.237 1.494 . . . . 0.0 110.194 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.4 p30 . . . . . 0 CA--C 1.517 -0.3 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -101.86 119.8 55.91 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-N 120.858 1.663 . . . . 0.0 109.822 159.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -69.7 -9.44 26.14 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 CA-C-O 111.492 -3.628 . . . . 0.0 114.77 177.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -58.64 109.02 0.72 Allowed 'General case' 0 N--CA 1.449 -0.498 1 CA-C-N 126.309 4.14 . . . . 0.0 108.563 167.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -96.8 70.95 2.53 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 126.766 3.174 . . . . 0.0 109.223 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.364 . . . . . . . 0 C--O 1.237 0.414 0 O-C-N 117.737 -3.102 . . . . 0.0 109.366 169.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 118.071 -0.966 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -70.5 133.04 87.16 Favored Pre-proline 0 N--CA 1.448 -0.556 0 CA-C-N 123.35 2.796 . . . . 0.0 111.415 168.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -81.06 -17.89 9.1 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 CA-C-N 120.436 1.192 . . . . 0.0 109.646 176.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.78 120.12 12.99 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 118.844 -2.41 . . . . 0.0 112.641 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -92.74 59.83 3.33 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 125.209 2.433 . . . . 0.0 113.61 -172.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.389 . . . . . . . 0 N--CA 1.449 -0.49 0 CA-C-N 111.957 -2.383 . . . . 0.0 107.671 168.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 CA--C 1.513 -0.466 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -112.05 127.79 26.38 Favored Pre-proline 0 N--CA 1.444 -0.758 2 O-C-N 114.017 -5.427 . . . . 0.0 108.027 172.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -62.42 -19.63 67.95 Favored 'Trans proline' 0 N--CA 1.444 -1.438 0 N-CA-C 118.496 2.46 . . . . 0.0 118.496 174.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.4 m -51.89 110.9 0.52 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 124.556 2.122 . . . . 0.0 110.89 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -76.4 51.89 0.74 Allowed 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 127.843 2.457 . . . . 0.0 109.2 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.398 . . . . . . . 0 N--CA 1.45 -0.447 0 O-C-N 120.214 -1.554 . . . . 0.0 110.033 161.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.216 -0.683 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -87.11 129.82 50.42 Favored Pre-proline 0 N--CA 1.451 -0.399 0 CA-C-O 116.564 -1.684 . . . . 0.0 110.834 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.34 -18.37 55.17 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 CA-C-O 125.605 2.252 . . . . 0.0 115.055 175.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.3 m -64.38 120.27 11.93 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 117.985 -2.947 . . . . 0.0 110.295 -174.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -90.49 62.88 5.39 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.338 1.455 . . . . 0.0 107.769 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.343 . . . . . . . 0 N--CA 1.45 -0.46 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.45 -0.468 0 CA-C-O 124.201 1.953 . . . . 0.0 115.469 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -123.19 124.77 26.37 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 113.672 -1.604 . . . . 0.0 110.032 -168.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.277 33.9 Cg_exo -57.91 -17.41 30.3 Favored 'Trans proline' 0 N--CA 1.446 -1.275 1 C-N-CA 126.558 4.839 . . . . 0.0 113.541 170.468 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 m -64.33 110.19 2.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 115.244 -2.313 . . . . 0.0 108.103 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -83.8 55.74 3.38 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 122.778 2.535 . . . . 0.0 111.959 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.355 . . . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 122.384 1.088 . . . . 0.0 108.873 169.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.443 -0.824 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -68.51 121.91 82.56 Favored Pre-proline 0 CA--C 1.518 -0.278 1 O-C-N 116.227 -4.046 . . . . 0.0 109.359 172.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.312 17.9 Cg_exo -55.52 -31.06 76.94 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 N-CA-C 121.403 3.578 . . . . 0.0 121.403 177.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.5 m -55.51 117.06 3.25 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.039 -2.346 . . . . 0.0 105.784 -170.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -88.73 68.17 8.51 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 126.485 3.041 . . . . 0.0 110.692 172.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.374 . . . . . . . 0 N--CA 1.446 -0.674 0 O-C-N 117.043 -3.536 . . . . 0.0 108.966 173.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 . . . . . 0 N--CA 1.451 -0.404 0 CA-C-O 124.713 2.197 . . . . 0.0 114.205 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -81.69 128.17 70.12 Favored Pre-proline 0 N--CA 1.443 -0.813 1 O-C-N 113.279 -5.888 . . . . 0.0 109.312 173.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_endo -65.83 -20.32 58.55 Favored 'Trans proline' 0 N--CA 1.446 -1.267 0 CA-C-O 115.046 -2.147 . . . . 0.0 113.086 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.9 m -68.32 105.18 2.06 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 122.863 2.574 . . . . 0.0 108.297 -162.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -72.63 64.84 0.65 Allowed 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 118.539 -2.601 . . . . 0.0 110.455 170.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.396 . . . . . . . 0 C--N 1.326 -0.416 0 C-N-CA 129.985 3.314 . . . . 0.0 113.144 174.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -90.74 121.67 67.89 Favored Pre-proline 0 N--CA 1.442 -0.832 0 CA-C-O 123.344 1.545 . . . . 0.0 111.909 -175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -60.25 -18.39 51.87 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 123.111 2.541 . . . . 0.0 113.46 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' A' ' 5' ' ' DPR . 16.6 m -53.13 103.45 0.07 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 121.557 1.98 . . . . 0.0 115.467 171.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . 0.449 ' HD3' ' HA ' ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -75.71 61.41 1.38 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 117.422 -1.275 . . . . 0.0 113.033 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.464 . . . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 128.498 3.999 . . . . 0.0 110.159 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.447 -0.608 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -110.1 132.02 21.68 Favored Pre-proline 0 N--CA 1.451 -0.402 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 167.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.36 -23.45 65.38 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 CA-C-O 115.554 -1.936 . . . . 0.0 116.18 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.7 m -53.42 117.85 3.4 Favored 'General case' 0 CA--C 1.511 -0.522 0 O-C-N 126.88 2.613 . . . . 0.0 111.412 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -84.4 68.04 10.1 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 127.932 2.493 . . . . 0.0 108.728 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.413 . . . . . . . 0 N--CA 1.446 -0.674 0 CA-C-O 125.67 2.652 . . . . 0.0 106.728 163.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 117.556 2.428 . . . . 0.0 117.556 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' ' 3' ' ' PRO . 62.6 t0 -77.81 122.24 85.34 Favored Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-N 118.279 0.49 . . . . 0.0 110.776 167.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 2' ' ' ASP . 64.6 Cg_endo -62.55 -21.81 73.28 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 123.157 2.571 . . . . 0.0 114.014 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.4 m -69.33 116.76 10.13 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 113.761 -3.019 . . . . 0.0 111.694 -168.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.54 -14.54 62.45 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 116.857 -3.652 . . . . 0.0 114.722 -171.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.414 . . . . . . . 0 CA--C 1.516 -0.36 0 CA-C-N 122.225 2.284 . . . . 0.0 111.663 -166.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -95.94 122.91 57.21 Favored Pre-proline 0 N--CA 1.45 -0.428 0 CA-C-O 116.589 -1.672 . . . . 0.0 109.008 171.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.308 51.3 Cg_exo -39.25 -31.77 0.34 Allowed 'Trans proline' 0 N--CA 1.451 -1.023 1 C-N-CA 125.391 4.061 . . . . 0.0 117.638 158.74 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m -60.52 110.01 1.16 Allowed 'General case' 0 N--CA 1.441 -0.887 0 O-C-N 116.709 -3.744 . . . . 0.0 111.457 -172.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -77.4 63.63 2.61 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 173.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.392 . . . . . . . 0 N--CA 1.446 -0.632 0 CA-C-O 115.663 -2.113 . . . . 0.0 115.23 -175.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' OD1' ' HD2' ' A' ' 3' ' ' PRO . 4.4 t0 -106.46 142.09 24.19 Favored Pre-proline 0 N--CA 1.447 -0.621 0 C-N-CA 130.055 3.342 . . . . 0.0 108.994 173.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.438 ' HD2' ' OD1' ' A' ' 2' ' ' ASP . 39.4 Cg_endo -81.16 -18.3 8.75 Favored 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 120.802 1.001 . . . . 0.0 113.632 173.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.7 m -53.27 115.02 1.69 Allowed 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 118.5 -2.625 . . . . 0.0 110.995 174.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -69.19 -28.41 66.37 Favored 'General case' 0 CA--C 1.514 -0.438 0 O-C-N 118.149 -2.845 . . . . 0.0 112.772 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.532 . . . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 104.857 -2.275 . . . . 0.0 104.857 174.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.235 0.329 0 CA-C-O 119.145 -0.455 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.53 152.08 49.03 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.081 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -68.63 -41.11 6.47 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 CA-C-N 121.404 1.537 . . . . 0.0 110.637 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -28.36 97.48 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.652 0 O-C-N 126.06 2.1 . . . . 0.0 112.071 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' DAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.01 94.11 0.13 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 118.22 -1.392 . . . . 0.0 112.182 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' DGN . . . . . . . . . . . . 2.433 . . . . . . . 0 C--O 1.232 0.163 0 CA-C-N 114.373 -1.285 . . . . 0.0 112.438 177.016 . . . . . . . . 1 1 . 1 stop_ save_