data_2mk7_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 2mk7 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.748 0.308 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.7 p -134.33 142.15 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -104.01 152.77 21.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.555 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.771 0.32 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.6 p -134.21 144.98 48.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -104.14 154.73 19.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.1 p . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.802 0.334 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.6 p -105.23 141.49 36.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.4 p -104.29 141.31 36.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.9 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.795 0.331 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.8 p -105.67 167.34 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 p -135.06 164.71 27.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.561 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.6 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.845 0.355 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.2 p -134.3 141.62 47.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.514 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.5 p -104.11 130.35 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.587 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.774 0.321 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.6 p -134.4 148.78 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.9 p -104.08 135.87 44.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.51 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.559 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.741 0.305 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.5 p -105.54 141.41 37.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.574 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -104.3 144.01 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.3 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.5 p -134.1 140.53 46.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.894 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -104.2 133.8 48.52 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.4 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.48 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.759 0.314 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.9 p -105.39 141.13 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.2 p -104.29 149.19 25.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.255 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.18 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 p -134.51 142.0 46.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.42 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -104.24 172.99 6.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.557 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.886 0.374 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -134.56 141.31 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -104.39 159.74 15.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.967 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.2 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.777 0.322 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.7 p -105.37 141.07 37.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.4 p -104.36 129.63 52.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.649 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.801 0.334 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 p -105.37 141.09 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.749 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -103.92 129.64 51.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.486 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 C--N 1.327 -0.408 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.706 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.2 p . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.808 0.337 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.2 p -105.48 141.5 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.6 p -104.74 156.49 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.587 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.83 0.348 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.8 p -105.65 141.59 36.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.575 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.8 p -105.24 161.49 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.569 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.708 0.29 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.2 p -105.49 141.7 36.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.8 p -104.26 146.54 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 162.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.027 2.485 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 110.49 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.024 2.482 . . . . 0.0 111.982 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.1 p -95.0 166.71 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.7 p -134.33 142.15 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -104.01 152.77 21.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.555 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.439 ' CG2' ' O7 ' ' A' ' 102' ' ' A2G . 66.5 p -100.8 143.27 31.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.64 125.58 30.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.61 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -63.17 131.2 94.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 -27.01 1.98 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.023 2.482 . . . . 0.0 111.985 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.101 -1.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . 0.439 ' O7 ' ' CG2' ' A' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.698 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.9 Cg_endo -44.66 -53.44 5.05 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.03 2.487 . . . . 0.0 111.954 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.698 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 2.8 Cg_endo -44.57 165.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.058 2.505 . . . . 0.0 111.954 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.1 p -144.31 166.18 25.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.6 p -134.21 144.98 48.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -104.14 154.73 19.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.472 ' CG2' ' O7 ' ' A' ' 102' ' ' A2G . 71.4 p -100.78 143.27 31.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -80.62 146.41 31.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -63.25 150.06 89.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 150.75 0.71 Allowed 'Trans proline' 0 C--N 1.303 -1.831 0 C-N-CA 123.079 2.519 . . . . 0.0 111.959 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 120.212 -1.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . 0.472 ' O7 ' ' CG2' ' A' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.712 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.9 Cg_endo -44.63 -53.35 5.1 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.993 2.462 . . . . 0.0 111.974 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.712 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 2.8 Cg_endo -44.52 91.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.989 2.459 . . . . 0.0 112.025 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.1 p -145.34 147.92 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.6 p -105.23 141.49 36.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.4 p -104.29 141.31 36.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.9 p -100.77 171.26 7.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 9' ' ' LYS . 13.7 tttp -159.34 113.57 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.634 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.615 ' C ' ' O ' ' A' ' 8' ' ' LYS . 9.4 tptm 19.98 74.08 0.22 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.49 19.56 0.53 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 123.12 2.546 . . . . 0.0 111.991 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.009 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 162.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.018 2.479 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 163.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.959 2.44 . . . . 0.0 112.013 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.4 p -144.03 139.38 28.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.8 p -105.67 167.34 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 p -135.06 164.71 27.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.6 p -139.05 170.27 16.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -159.34 121.04 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.2 159.24 50.17 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.633 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 -34.37 7.66 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.056 2.504 . . . . 0.0 112.018 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 120.131 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 162.89 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.024 2.482 . . . . 0.0 111.949 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 105.17 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.075 2.517 . . . . 0.0 111.978 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.6 p -95.12 168.14 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.55 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.2 p -134.3 141.62 47.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.514 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.5 p -104.11 130.35 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.587 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 8' ' ' LYS . 69.7 p -100.92 113.36 26.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' O ' ' C8 ' ' A' ' 104' ' ' A2G . 0.5 OUTLIER 42.91 96.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.96 158.49 53.54 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.575 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 -73.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.033 2.489 . . . . 0.0 112.035 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.139 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . 0.464 ' HO3' ' HO4' ' A' ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . 0.457 ' C8 ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 162.89 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.993 2.462 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 141.95 5.2 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 123.022 2.481 . . . . 0.0 112.018 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 p -94.96 165.65 12.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.6 p -134.4 148.78 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.9 p -104.08 135.87 44.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.51 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -100.8 166.95 10.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.559 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -80.63 89.77 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 159.14 50.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.577 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 172.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.07 2.513 . . . . 0.0 111.951 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.106 -1.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 162.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.035 2.49 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 150.99 0.67 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.019 2.479 . . . . 0.0 112.014 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.9 p -94.92 135.42 36.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.594 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.5 p -105.54 141.41 37.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.574 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -104.3 144.01 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.3 p -100.73 128.87 46.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -80.63 118.76 22.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.557 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.573 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 25.7 tttt -175.82 46.65 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 2.9 Cg_endo -44.7 172.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.998 2.465 . . . . 0.0 111.955 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . 0.467 ' HO4' ' H15' ' A' ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.704 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.7 Cg_endo -45.19 -53.14 5.65 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.171 2.581 . . . . 0.0 112.153 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.704 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 3.2 Cg_exo -42.29 151.21 0.22 Allowed 'Trans proline' 0 C--N 1.303 -1.843 0 C-N-CA 123.271 2.647 . . . . 0.0 112.647 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.6 p -144.94 171.67 14.12 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.586 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.5 p -134.1 140.53 46.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.894 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -104.2 133.8 48.52 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.4 p -100.89 133.65 45.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.48 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -80.62 172.43 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.16 154.89 76.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.583 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.48 -28.06 2.46 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.012 2.475 . . . . 0.0 112.033 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.709 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.8 Cg_endo -45.88 -53.61 5.52 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.963 2.442 . . . . 0.0 112.007 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.709 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 3.1 Cg_exo -42.59 156.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.074 2.516 . . . . 0.0 112.137 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -144.25 138.95 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.411 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.9 p -105.39 141.13 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.2 p -104.29 149.19 25.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.255 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -100.84 131.56 46.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.18 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -80.64 140.73 35.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.437 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -63.21 154.98 76.07 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.413 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -42.37 -33.8 2.77 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.002 2.468 . . . . 0.0 112.02 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.112 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.696 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.9 Cg_endo -45.24 -53.61 5.21 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 123.059 2.506 . . . . 0.0 112.062 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.696 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 2.8 Cg_endo -43.98 155.02 0.23 Allowed 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 123.27 2.647 . . . . 0.0 112.174 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.7 p -144.52 169.24 18.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.522 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 p -134.51 142.0 46.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.42 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -104.24 172.99 6.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 p -138.58 153.11 48.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.557 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.62 99.2 8.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -175.86 46.55 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.684 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 2.9 Cg_endo -44.63 152.81 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.072 2.515 . . . . 0.0 111.949 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 120.144 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 161.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.972 2.448 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 95.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.909 2.406 . . . . 0.0 111.989 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 p -145.79 170.01 17.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.676 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -134.56 141.31 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -104.39 159.74 15.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.967 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.5 p -139.11 149.55 44.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.604 ' O ' ' C ' ' A' ' 9' ' ' LYS . 2.2 tppt? 46.42 -146.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.665 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' C ' ' O ' ' A' ' 8' ' ' LYS . 10.8 tttp 21.39 61.31 0.28 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.53 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 -67.53 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.081 2.52 . . . . 0.0 111.921 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.698 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.8 Cg_endo -44.6 -53.3 5.13 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.94 2.427 . . . . 0.0 112.039 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.698 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 2.8 Cg_endo -44.61 91.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.127 2.551 . . . . 0.0 111.96 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.2 p -145.31 144.42 30.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.7 p -105.37 141.07 37.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.4 p -104.36 129.63 52.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.649 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 8' ' ' LYS . 68.6 p -100.81 124.71 46.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 7' ' ' THR . 6.2 tttp 47.36 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.581 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -176.72 46.44 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.536 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 2.9 Cg_endo -44.68 -72.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.003 2.468 . . . . 0.0 111.969 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . 0.508 ' HO4' ' H15' ' A' ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -43.29 162.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 123.149 2.566 . . . . 0.0 112.075 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.37 98.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.971 2.448 . . . . 0.0 111.899 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.6 p -145.48 151.89 38.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 p -105.37 141.09 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.749 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.426 ' CG2' ' O7 ' ' A' ' 101' ' ' A2G . 43.3 p -103.92 129.64 51.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.486 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.1 p -100.71 153.9 19.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.706 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.61 128.01 33.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.466 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 154.99 76.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.452 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 156.13 0.25 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.942 2.428 . . . . 0.0 111.962 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.181 -1.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . 0.426 ' O7 ' ' CG2' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.69 162.98 34.59 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.095 2.53 . . . . 0.0 112.079 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.26 155.71 0.23 Allowed 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 123.067 2.512 . . . . 0.0 112.168 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.2 p -144.61 136.73 26.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.483 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.2 p -105.48 141.5 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.6 p -104.74 156.49 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.406 ' O ' ' N2 ' ' A' ' 104' ' ' A2G . 69.8 p -139.03 123.41 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.587 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 tttp 73.08 166.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.58 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -63.25 154.87 76.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 102.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.062 2.508 . . . . 0.0 111.968 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 120.134 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . 0.683 ' HO4' ' H15' ' A' ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . 0.406 ' N2 ' ' O ' ' A' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.467 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.467 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.66 179.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.065 2.51 . . . . 0.0 111.986 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 130.18 12.52 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.964 2.442 . . . . 0.0 112.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.7 p -94.91 139.64 31.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.8 p -105.65 141.59 36.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.575 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.8 p -105.24 161.49 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.7 p -139.02 158.83 43.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.569 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.621 ' O ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -159.29 132.55 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.59 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.621 ' C ' ' O ' ' A' ' 8' ' ' LYS . 23.1 ttpt 19.94 74.12 0.22 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.544 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 26.32 0.39 Allowed 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 123.112 2.542 . . . . 0.0 111.973 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 162.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.046 2.497 . . . . 0.0 112.005 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 146.55 2.03 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.052 2.501 . . . . 0.0 112.021 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -94.81 135.07 36.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.652 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.2 p -105.49 141.7 36.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.8 p -104.26 146.54 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.6 p -100.75 124.95 47.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' O ' ' C ' ' A' ' 9' ' ' LYS . 12.8 tptp -80.75 60.33 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.602 ' C ' ' O ' ' A' ' 8' ' ' LYS . 8.0 ttpt 21.36 61.22 0.28 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.612 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 168.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.02 2.48 . . . . 0.0 112.006 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.198 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' A2G . . . . . 0.425 ' O4 ' ' O6 ' ' A' ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.748 0.308 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.7 p -134.33 142.15 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -104.01 152.77 21.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.555 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.771 0.32 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.6 p -134.21 144.98 48.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -104.14 154.73 19.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.1 p . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.802 0.334 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.6 p -105.23 141.49 36.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.4 p -104.29 141.31 36.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.9 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.795 0.331 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.8 p -105.67 167.34 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 p -135.06 164.71 27.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.561 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.6 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.845 0.355 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.2 p -134.3 141.62 47.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.514 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.5 p -104.11 130.35 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.587 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.774 0.321 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.6 p -134.4 148.78 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.9 p -104.08 135.87 44.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.51 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.559 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.741 0.305 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.5 p -105.54 141.41 37.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.574 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -104.3 144.01 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.3 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.5 p -134.1 140.53 46.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.894 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -104.2 133.8 48.52 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.4 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.48 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.759 0.314 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.9 p -105.39 141.13 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.2 p -104.29 149.19 25.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.255 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.18 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 p -134.51 142.0 46.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.42 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -104.24 172.99 6.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.557 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.886 0.374 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -134.56 141.31 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -104.39 159.74 15.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.967 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.2 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.777 0.322 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.7 p -105.37 141.07 37.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.4 p -104.36 129.63 52.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.649 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.801 0.334 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 p -105.37 141.09 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.749 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -103.92 129.64 51.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.486 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 C--N 1.327 -0.408 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.706 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.2 p . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.808 0.337 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.2 p -105.48 141.5 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.6 p -104.74 156.49 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.587 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.83 0.348 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.8 p -105.65 141.59 36.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.575 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.8 p -105.24 161.49 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.569 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.708 0.29 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.2 p -105.49 141.7 36.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.8 p -104.26 146.54 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 162.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.027 2.485 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 110.49 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.024 2.482 . . . . 0.0 111.982 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.1 p -95.0 166.71 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.471 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 44.7 p -134.33 142.15 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -104.01 152.77 21.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.555 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.439 ' CG2' ' O7 ' ' A' ' 102' ' ' A2G . 66.5 p -100.8 143.27 31.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.64 125.58 30.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.61 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -63.17 131.2 94.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 -27.01 1.98 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.023 2.482 . . . . 0.0 111.985 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.101 -1.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' A2G . . . . . 0.471 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.697 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.9 Cg_endo -44.66 -53.44 5.05 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.03 2.487 . . . . 0.0 111.954 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.697 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 2.8 Cg_endo -44.57 165.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.058 2.505 . . . . 0.0 111.954 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.1 p -144.31 166.18 25.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.47 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 48.6 p -134.21 144.98 48.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -104.14 154.73 19.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.472 ' CG2' ' O7 ' ' A' ' 102' ' ' A2G . 71.4 p -100.78 143.27 31.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -80.62 146.41 31.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -63.25 150.06 89.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 150.75 0.71 Allowed 'Trans proline' 0 C--N 1.303 -1.831 0 C-N-CA 123.079 2.519 . . . . 0.0 111.959 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 120.212 -1.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' A2G . . . . . 0.472 ' O7 ' ' CG2' ' A' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.715 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.9 Cg_endo -44.63 -53.35 5.1 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.993 2.462 . . . . 0.0 111.974 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.715 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 2.8 Cg_endo -44.52 91.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.989 2.459 . . . . 0.0 112.025 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.1 p -145.34 147.92 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.485 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 81.6 p -105.23 141.49 36.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.4 p -104.29 141.31 36.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.9 p -100.77 171.26 7.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 9' ' ' LYS . 13.7 tttp -159.34 113.57 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.634 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.615 ' C ' ' O ' ' A' ' 8' ' ' LYS . 9.4 tptm 19.98 74.08 0.22 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.49 19.56 0.53 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 123.12 2.546 . . . . 0.0 111.991 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.009 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' A2G . . . . . 0.485 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 162.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.018 2.479 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 163.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.959 2.44 . . . . 0.0 112.013 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.4 p -144.03 139.38 28.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.8 p -105.67 167.34 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 p -135.06 164.71 27.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.6 p -139.05 170.27 16.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -159.34 121.04 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.2 159.24 50.17 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.633 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 -34.37 7.66 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.056 2.504 . . . . 0.0 112.018 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 120.131 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.492 ' O ' HG23 ' A' ' 4' ' ' THR . 2.9 Cg_endo -44.6 162.89 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.024 2.482 . . . . 0.0 111.949 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 105.17 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.075 2.517 . . . . 0.0 111.978 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 2' ' ' PRO . 73.6 p -95.12 168.14 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.55 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.498 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 68.2 p -134.3 141.62 47.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.498 HG21 ' H5 ' ' A' ' 103' ' ' A2G . 82.5 p -104.11 130.35 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.587 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 8' ' ' LYS . 69.7 p -100.92 113.36 26.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.742 ' O ' ' H8A' ' A' ' 104' ' ' A2G . 0.5 OUTLIER 42.91 96.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.96 158.49 53.54 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.575 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 -73.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.033 2.489 . . . . 0.0 112.035 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.139 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' A2G . . . . . 0.424 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' A2G . . . . . 0.498 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' A2G . . . . . 0.498 ' H5 ' HG21 ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' A2G . . . . . 0.742 ' H8A' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 162.89 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.993 2.462 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 141.95 5.2 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 123.022 2.481 . . . . 0.0 112.018 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 p -94.96 165.65 12.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.443 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 81.6 p -134.4 148.78 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.9 p -104.08 135.87 44.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.51 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -100.8 166.95 10.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.559 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -80.63 89.77 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 159.14 50.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.577 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 172.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.07 2.513 . . . . 0.0 111.951 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.106 -1.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' A2G . . . . . 0.443 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 162.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.035 2.49 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 150.99 0.67 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.019 2.479 . . . . 0.0 112.014 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.9 p -94.92 135.42 36.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.594 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.5 p -105.54 141.41 37.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.574 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -104.3 144.01 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.3 p -100.73 128.87 46.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -80.63 118.76 22.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.557 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.573 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 25.7 tttt -175.82 46.65 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 2.9 Cg_endo -44.7 172.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.998 2.465 . . . . 0.0 111.955 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.714 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.7 Cg_endo -45.19 -53.14 5.65 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.171 2.581 . . . . 0.0 112.153 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.714 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 3.2 Cg_exo -42.29 151.21 0.22 Allowed 'Trans proline' 0 C--N 1.303 -1.843 0 C-N-CA 123.271 2.647 . . . . 0.0 112.647 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.6 p -144.94 171.67 14.12 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.586 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.515 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 68.5 p -134.1 140.53 46.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.894 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -104.2 133.8 48.52 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.4 p -100.89 133.65 45.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.48 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -80.62 172.43 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.16 154.89 76.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.583 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.48 -28.06 2.46 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.012 2.475 . . . . 0.0 112.033 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' A2G . . . . . 0.515 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.709 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.8 Cg_endo -45.88 -53.61 5.52 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.963 2.442 . . . . 0.0 112.007 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.709 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 3.1 Cg_exo -42.59 156.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.074 2.516 . . . . 0.0 112.137 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -144.25 138.95 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.411 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.9 p -105.39 141.13 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.2 p -104.29 149.19 25.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.255 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -100.84 131.56 46.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.18 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -80.64 140.73 35.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.437 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -63.21 154.98 76.07 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.413 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -42.37 -33.8 2.77 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.002 2.468 . . . . 0.0 112.02 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.112 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.702 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.9 Cg_endo -45.24 -53.61 5.21 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 123.059 2.506 . . . . 0.0 112.062 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.702 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 2.8 Cg_endo -43.98 155.02 0.23 Allowed 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 123.27 2.647 . . . . 0.0 112.174 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.7 p -144.52 169.24 18.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.522 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.402 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 44.3 p -134.51 142.0 46.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.42 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -104.24 172.99 6.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 p -138.58 153.11 48.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.557 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.62 99.2 8.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -175.86 46.55 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.684 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 2.9 Cg_endo -44.63 152.81 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.072 2.515 . . . . 0.0 111.949 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 120.144 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' A2G . . . . . 0.402 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 161.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.972 2.448 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 95.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.909 2.406 . . . . 0.0 111.989 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 p -145.79 170.01 17.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.676 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.503 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 45.1 p -134.56 141.31 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -104.39 159.74 15.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.967 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.5 p -139.11 149.55 44.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.604 ' O ' ' C ' ' A' ' 9' ' ' LYS . 2.2 tppt? 46.42 -146.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.665 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' C ' ' O ' ' A' ' 8' ' ' LYS . 10.8 tttp 21.39 61.31 0.28 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.53 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 -67.53 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.081 2.52 . . . . 0.0 111.921 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' A2G . . . . . 0.503 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.693 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.8 Cg_endo -44.6 -53.3 5.13 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.94 2.427 . . . . 0.0 112.039 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.693 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 2.8 Cg_endo -44.61 91.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.127 2.551 . . . . 0.0 111.96 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.2 p -145.31 144.42 30.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.7 p -105.37 141.07 37.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.493 HG21 ' H5 ' ' A' ' 103' ' ' A2G . 63.4 p -104.36 129.63 52.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 8' ' ' LYS . 68.6 p -100.81 124.71 46.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 7' ' ' THR . 6.2 tttp 47.36 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.581 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -176.72 46.44 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.536 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 2.9 Cg_endo -44.68 -72.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.003 2.468 . . . . 0.0 111.969 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' A2G . . . . . 0.493 ' H5 ' HG21 ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -43.29 162.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 123.149 2.566 . . . . 0.0 112.075 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.37 98.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.971 2.448 . . . . 0.0 111.899 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.6 p -145.48 151.89 38.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 p -105.37 141.09 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.749 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.426 ' CG2' ' O7 ' ' A' ' 101' ' ' A2G . 43.3 p -103.92 129.64 51.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.486 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.1 p -100.71 153.9 19.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.706 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.61 128.01 33.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.466 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 154.99 76.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.452 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 156.13 0.25 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.942 2.428 . . . . 0.0 111.962 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.181 -1.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' A2G . . . . . 0.426 ' O7 ' ' CG2' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.69 162.98 34.59 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.095 2.53 . . . . 0.0 112.079 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.26 155.71 0.23 Allowed 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 123.067 2.512 . . . . 0.0 112.168 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.2 p -144.61 136.73 26.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.483 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.2 p -105.48 141.5 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.6 p -104.74 156.49 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.406 ' O ' ' N2 ' ' A' ' 104' ' ' A2G . 69.8 p -139.03 123.41 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.587 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 tttp 73.08 166.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.58 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -63.25 154.87 76.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 102.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.062 2.508 . . . . 0.0 111.968 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 120.134 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 104' ' ' A2G . . . . . 0.406 ' N2 ' ' O ' ' A' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.467 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.467 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.66 179.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.065 2.51 . . . . 0.0 111.986 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 130.18 12.52 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.964 2.442 . . . . 0.0 112.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.7 p -94.91 139.64 31.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.8 p -105.65 141.59 36.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.575 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.8 p -105.24 161.49 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.7 p -139.02 158.83 43.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.569 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.621 ' O ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -159.29 132.55 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.59 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.621 ' C ' ' O ' ' A' ' 8' ' ' LYS . 23.1 ttpt 19.94 74.12 0.22 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.544 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 26.32 0.39 Allowed 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 123.112 2.542 . . . . 0.0 111.973 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 162.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.046 2.497 . . . . 0.0 112.005 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 146.55 2.03 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.052 2.501 . . . . 0.0 112.021 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -94.81 135.07 36.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.652 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.2 p -105.49 141.7 36.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.8 p -104.26 146.54 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.6 p -100.75 124.95 47.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' O ' ' C ' ' A' ' 9' ' ' LYS . 12.8 tptp -80.75 60.33 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.602 ' C ' ' O ' ' A' ' 8' ' ' LYS . 8.0 ttpt 21.36 61.22 0.28 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.612 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 168.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.02 2.48 . . . . 0.0 112.006 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.198 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.748 0.308 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.7 p -134.33 142.15 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -104.01 152.77 21.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.555 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.1 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.771 0.32 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.6 p -134.21 144.98 48.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -104.14 154.73 19.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.1 p . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.802 0.334 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.6 p -105.23 141.49 36.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.4 p -104.29 141.31 36.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.9 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.795 0.331 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.8 p -105.67 167.34 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 p -135.06 164.71 27.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.561 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.6 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.845 0.355 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.2 p -134.3 141.62 47.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.514 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.5 p -104.11 130.35 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.587 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.774 0.321 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.6 p -134.4 148.78 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.9 p -104.08 135.87 44.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.51 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.559 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.741 0.305 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.5 p -105.54 141.41 37.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.574 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -104.3 144.01 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.3 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.5 p -134.1 140.53 46.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.894 -178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -104.2 133.8 48.52 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.4 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.48 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.759 0.314 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.9 p -105.39 141.13 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.2 p -104.29 149.19 25.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.255 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.18 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.3 p -134.51 142.0 46.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.42 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -104.24 172.99 6.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.557 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.886 0.374 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 45.1 p -134.56 141.31 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.583 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -104.39 159.74 15.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.967 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.2 p . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.777 0.322 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.7 p -105.37 141.07 37.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.4 p -104.36 129.63 52.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.649 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.6 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.801 0.334 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 p -105.37 141.09 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.749 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -103.92 129.64 51.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.486 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.1 p . . . . . 0 C--N 1.327 -0.408 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.706 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.2 p . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.808 0.337 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.2 p -105.48 141.5 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.6 p -104.74 156.49 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.587 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.83 0.348 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.8 p -105.65 141.59 36.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.575 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.8 p -105.24 161.49 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.569 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.708 0.29 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.2 p -105.49 141.7 36.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.8 p -104.26 146.54 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 162.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.027 2.485 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 110.49 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.024 2.482 . . . . 0.0 111.982 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.1 p -95.0 166.71 11.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.471 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 44.7 p -134.33 142.15 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.3 p -104.01 152.77 21.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.555 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.439 ' CG2' ' O7 ' ' A' ' 102' ' ' A2G . 66.5 p -100.8 143.27 31.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.64 125.58 30.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.61 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -63.17 131.2 94.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.625 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 -27.01 1.98 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.023 2.482 . . . . 0.0 111.985 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.101 -1.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . 0.471 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.697 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.9 Cg_endo -44.66 -53.44 5.05 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 123.03 2.487 . . . . 0.0 111.954 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.697 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 2.8 Cg_endo -44.57 165.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.058 2.505 . . . . 0.0 111.954 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.1 p -144.31 166.18 25.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.47 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 48.6 p -134.21 144.98 48.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -104.14 154.73 19.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.472 ' CG2' ' O7 ' ' A' ' 102' ' ' A2G . 71.4 p -100.78 143.27 31.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.553 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -80.62 146.41 31.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 mmtt -63.25 150.06 89.93 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 150.75 0.71 Allowed 'Trans proline' 0 C--N 1.303 -1.831 0 C-N-CA 123.079 2.519 . . . . 0.0 111.959 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 120.212 -1.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . 0.472 ' O7 ' ' CG2' ' A' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.715 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.9 Cg_endo -44.63 -53.35 5.1 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.993 2.462 . . . . 0.0 111.974 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.715 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 2.8 Cg_endo -44.52 91.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.989 2.459 . . . . 0.0 112.025 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.1 p -145.34 147.92 32.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.543 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.485 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 81.6 p -105.23 141.49 36.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.558 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.4 p -104.29 141.31 36.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.9 p -100.77 171.26 7.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 9' ' ' LYS . 13.7 tttp -159.34 113.57 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.634 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.615 ' C ' ' O ' ' A' ' 8' ' ' LYS . 9.4 tptm 19.98 74.08 0.22 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.546 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.49 19.56 0.53 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 123.12 2.546 . . . . 0.0 111.991 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.009 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . 0.485 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 162.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.018 2.479 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 163.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.959 2.44 . . . . 0.0 112.013 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.4 p -144.03 139.38 28.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 52.8 p -105.67 167.34 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.1 p -135.06 164.71 27.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.57 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.6 p -139.05 170.27 16.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.5 tttm -159.34 121.04 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.2 159.24 50.17 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.633 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 -34.37 7.66 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.056 2.504 . . . . 0.0 112.018 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 120.131 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.492 ' O ' HG23 ' A' ' 4' ' ' THR . 2.9 Cg_endo -44.6 162.89 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.024 2.482 . . . . 0.0 111.949 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 105.17 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.075 2.517 . . . . 0.0 111.978 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 2' ' ' PRO . 73.6 p -95.12 168.14 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.55 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.498 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 68.2 p -134.3 141.62 47.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.498 HG21 ' H5 ' ' A' ' 103' ' ' A2G . 82.5 p -104.11 130.35 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.587 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' O ' ' A' ' 8' ' ' LYS . 69.7 p -100.92 113.36 26.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.742 ' O ' ' H8A' ' A' ' 104' ' ' A2G . 0.5 OUTLIER 42.91 96.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.96 158.49 53.54 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.575 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 -73.3 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.033 2.489 . . . . 0.0 112.035 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.139 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . 0.424 ' H5 ' HG21 ' A' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . 0.498 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . 0.498 ' H5 ' HG21 ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . 0.742 ' H8A' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 162.89 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.993 2.462 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 141.95 5.2 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 123.022 2.481 . . . . 0.0 112.018 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.4 p -94.96 165.65 12.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.443 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 81.6 p -134.4 148.78 50.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.595 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.9 p -104.08 135.87 44.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.51 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -100.8 166.95 10.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.559 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -80.63 89.77 5.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 159.14 50.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.577 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 172.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.07 2.513 . . . . 0.0 111.951 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.106 -1.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . 0.443 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 162.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.035 2.49 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 150.99 0.67 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.019 2.479 . . . . 0.0 112.014 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.9 p -94.92 135.42 36.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.594 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.5 p -105.54 141.41 37.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.574 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -104.3 144.01 32.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.3 p -100.73 128.87 46.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -80.63 118.76 22.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.557 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.573 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 25.7 tttt -175.82 46.65 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.566 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 2.9 Cg_endo -44.7 172.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.998 2.465 . . . . 0.0 111.955 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.122 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.016 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.714 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.7 Cg_endo -45.19 -53.14 5.65 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.171 2.581 . . . . 0.0 112.153 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.714 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 3.2 Cg_exo -42.29 151.21 0.22 Allowed 'Trans proline' 0 C--N 1.303 -1.843 0 C-N-CA 123.271 2.647 . . . . 0.0 112.647 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.6 p -144.94 171.67 14.12 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.586 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.515 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 68.5 p -134.1 140.53 46.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.894 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.2 p -104.2 133.8 48.52 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.762 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.4 p -100.89 133.65 45.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.48 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -80.62 172.43 13.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.522 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.16 154.89 76.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.583 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.48 -28.06 2.46 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.012 2.475 . . . . 0.0 112.033 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . 0.515 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.709 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.8 Cg_endo -45.88 -53.61 5.52 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.963 2.442 . . . . 0.0 112.007 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.709 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 3.1 Cg_exo -42.59 156.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.074 2.516 . . . . 0.0 112.137 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.3 p -144.25 138.95 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.411 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 80.9 p -105.39 141.13 37.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.2 p -104.29 149.19 25.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.255 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.1 p -100.84 131.56 46.67 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.18 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -80.64 140.73 35.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.437 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -63.21 154.98 76.07 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.413 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -42.37 -33.8 2.77 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 123.002 2.468 . . . . 0.0 112.02 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 120.112 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.702 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.9 Cg_endo -45.24 -53.61 5.21 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 123.059 2.506 . . . . 0.0 112.062 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.702 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 2.8 Cg_endo -43.98 155.02 0.23 Allowed 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 123.27 2.647 . . . . 0.0 112.174 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.7 p -144.52 169.24 18.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.522 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.402 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 44.3 p -134.51 142.0 46.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.42 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.0 p -104.24 172.99 6.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.7 p -138.58 153.11 48.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.557 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.62 99.2 8.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.424 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.578 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER -175.86 46.55 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.684 -179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 2.9 Cg_endo -44.63 152.81 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.072 2.515 . . . . 0.0 111.949 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 120.144 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . 0.402 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 161.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.972 2.448 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 95.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.909 2.406 . . . . 0.0 111.989 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.2 p -145.79 170.01 17.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.676 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.503 HG21 ' H5 ' ' A' ' 102' ' ' A2G . 45.1 p -134.56 141.31 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.7 p -104.39 159.74 15.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.967 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.5 p -139.11 149.55 44.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.569 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.604 ' O ' ' C ' ' A' ' 9' ' ' LYS . 2.2 tppt? 46.42 -146.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.665 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' C ' ' O ' ' A' ' 8' ' ' LYS . 10.8 tttp 21.39 61.31 0.28 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.53 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 -67.53 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.081 2.52 . . . . 0.0 111.921 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . 0.503 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.693 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 2.8 Cg_endo -44.6 -53.3 5.13 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.94 2.427 . . . . 0.0 112.039 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.693 ' HD2' ' N ' ' A' ' 2' ' ' PRO . 2.8 Cg_endo -44.61 91.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.127 2.551 . . . . 0.0 111.96 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.2 p -145.31 144.42 30.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.7 p -105.37 141.07 37.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.493 HG21 ' H5 ' ' A' ' 103' ' ' A2G . 63.4 p -104.36 129.63 52.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.649 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 8' ' ' LYS . 68.6 p -100.81 124.71 46.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.585 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 7' ' ' THR . 6.2 tttp 47.36 -176.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.604 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.581 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -176.72 46.44 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.536 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 9' ' ' LYS . 2.9 Cg_endo -44.68 -72.07 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.003 2.468 . . . . 0.0 111.969 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . 0.493 ' H5 ' HG21 ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -43.29 162.4 0.05 OUTLIER 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 123.149 2.566 . . . . 0.0 112.075 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -46.37 98.87 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.971 2.448 . . . . 0.0 111.899 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.6 p -145.48 151.89 38.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.604 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.6 p -105.37 141.09 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.749 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.426 ' CG2' ' O7 ' ' A' ' 101' ' ' A2G . 43.3 p -103.92 129.64 51.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.486 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 75.1 p -100.71 153.9 19.06 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.706 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.61 128.01 33.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.466 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.2 154.99 76.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.452 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.71 156.13 0.25 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.942 2.428 . . . . 0.0 111.962 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.181 -1.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . 0.426 ' O7 ' ' CG2' ' A' ' 6' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.69 162.98 34.59 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.095 2.53 . . . . 0.0 112.079 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.26 155.71 0.23 Allowed 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 123.067 2.512 . . . . 0.0 112.168 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.2 p -144.61 136.73 26.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.483 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.2 p -105.48 141.5 36.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.6 p -104.74 156.49 17.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.406 ' O ' ' N2 ' ' A' ' 104' ' ' A2G . 69.8 p -139.03 123.41 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.587 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 tttp 73.08 166.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.58 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.4 mttm -63.25 154.87 76.69 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 102.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.062 2.508 . . . . 0.0 111.968 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 O-C-N 120.134 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . 0.406 ' N2 ' ' O ' ' A' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.467 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.467 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.66 179.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.065 2.51 . . . . 0.0 111.986 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 130.18 12.52 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.964 2.442 . . . . 0.0 112.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.7 p -94.91 139.64 31.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.534 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.8 p -105.65 141.59 36.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.575 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.8 p -105.24 161.49 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.55 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 35.7 p -139.02 158.83 43.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.569 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.621 ' O ' ' C ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -159.29 132.55 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.59 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.621 ' C ' ' O ' ' A' ' 8' ' ' LYS . 23.1 ttpt 19.94 74.12 0.22 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.544 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 26.32 0.39 Allowed 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 123.112 2.542 . . . . 0.0 111.973 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.126 -1.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 162.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.046 2.497 . . . . 0.0 112.005 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 146.55 2.03 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.052 2.501 . . . . 0.0 112.021 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -94.81 135.07 36.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.652 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.2 p -105.49 141.7 36.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.8 p -104.26 146.54 28.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 66.6 p -100.75 124.95 47.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.572 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' O ' ' C ' ' A' ' 9' ' ' LYS . 12.8 tptp -80.75 60.33 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.602 ' C ' ' O ' ' A' ' 8' ' ' LYS . 8.0 ttpt 21.36 61.22 0.28 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.612 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 168.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.02 2.48 . . . . 0.0 112.006 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.198 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_