data_6be9_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 6be9 _Structure_validation_residue.Date_analyzed 2017-12-22 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 ' 3' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 . . . . . 0 N--CA 1.452 -0.369 1 CA-C-O 111.095 -4.288 . . . . 0.0 108.625 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -48.13 109.93 0.28 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 124.395 3.27 . . . . 0.0 115.614 167.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.258 24.7 m . . . . . 0 N--CA 1.447 -0.593 0 C-N-CA 123.639 0.776 . . . . 0.0 112.287 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 . . . . . 0 C--O 1.235 0.29 0 CA-C-O 117.592 -1.194 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -58.65 101.61 0.09 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 129.995 3.318 . . . . 0.0 107.291 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.389 7.3 m . . . . . 0 N--CA 1.452 -0.357 0 C-N-CA 130.564 3.545 . . . . 0.0 110.193 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.4 m120 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -70.07 110.64 5.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 119.665 -1.897 . . . . 0.0 113.538 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.453 -0.315 0 O-C-N 118.455 -2.653 . . . . 0.0 112.277 176.601 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 118.192 2.664 . . . . 0.0 118.192 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -80.38 103.15 10.05 Favored 'General case' 0 N--CA 1.446 -0.668 1 C-N-CA 134.654 5.182 . . . . 0.0 111.648 -170.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.319 1.4 m . . . . . 0 N--CA 1.442 -0.85 0 CA-C-O 124.086 1.898 . . . . 0.0 111.105 -173.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 . . . . . 0 N--CA 1.443 -0.798 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -50.95 113.21 0.86 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 123.907 1.813 . . . . 0.0 110.725 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.273 0.6 OUTLIER . . . . . 0 N--CA 1.448 -0.569 0 CA-C-N 112.729 -2.032 . . . . 0.0 116.058 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 122.613 1.196 . . . . 0.0 114.224 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.05 113.82 15.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 122.652 1.215 . . . . 0.0 112.841 -166.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.415 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.652 0 C-N-CA 125.987 1.715 . . . . 0.0 112.559 -174.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.4 114.59 4.4 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.945 0.879 . . . . 0.0 111.66 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.443 -0.793 0 C-N-CA 127.849 2.46 . . . . 0.0 110.944 175.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 . . . . . 0 C--O 1.236 0.384 0 CA-C-O 123.293 1.52 . . . . 0.0 107.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.66 135.52 54.18 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 118.696 -2.502 . . . . 0.0 111.959 -161.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.5 p . . . . . 0 C--O 1.236 0.385 0 CA-C-O 113.949 -2.929 . . . . 0.0 118.331 -177.121 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.32 119.62 5.43 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 118.585 -2.572 . . . . 0.0 113.528 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.4 m . . . . . 0 C--O 1.222 -0.369 0 O-C-N 126.152 2.157 . . . . 0.0 115.316 179.506 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.9 m120 . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -83.38 116.34 22.43 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.38 1.072 . . . . 0.0 109.844 -161.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.387 43.9 p . . . . . 0 N--CA 1.45 -0.448 0 C-N-CA 127.706 2.403 . . . . 0.0 114.589 -161.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.32 50.6 t30 . . . . . 0 N--CA 1.444 -0.75 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.313 43.6 t0 -141.37 124.57 16.45 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 130.086 3.354 . . . . 0.0 109.669 -177.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.457 -0.114 0 C-N-CA 128.486 2.714 . . . . 0.0 117.334 -176.67 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 m120 . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -145.34 130.2 18.21 Favored 'General case' 0 N--CA 1.451 -0.422 1 O-C-N 114.856 -4.902 . . . . 0.0 115.834 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.271 9.1 m . . . . . 0 N--CA 1.447 -0.586 1 O-C-N 115.96 -4.213 . . . . 0.0 114.907 -179.992 . . . . . . . . 2 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 m120 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 117.858 -1.068 . . . . 0.0 112.691 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.44 119.45 9.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 124.39 2.043 . . . . 0.0 112.473 -174.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.446 -0.661 0 CA-C-N 109.936 -3.302 . . . . 0.0 111.107 -166.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 . . . . . 0 N--CA 1.443 -0.786 0 CA-C-O 113.626 -3.083 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -118.93 126.14 51.08 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 122.543 2.428 . . . . 0.0 111.306 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.327 15.1 t . . . . . 0 N--CA 1.442 -0.831 0 C-N-CA 127.823 2.449 . . . . 0.0 117.391 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.0 m120 . . . . . 0 C--O 1.235 0.297 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -50.27 85.59 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 129.811 3.244 . . . . 0.0 113.862 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 125.822 2.725 . . . . 0.0 113.381 -168.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.5 m120 . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 117.889 -1.053 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -57.15 119.38 6.26 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 126.029 2.823 . . . . 0.0 109.4 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.264 4.7 m . . . . . 0 N--CA 1.443 -0.816 1 O-C-N 115.186 -4.696 . . . . 0.0 114.749 177.983 . . . . . . . . 2 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 . . . . . 0 C--O 1.222 -0.362 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -135.62 117.81 15.52 Favored 'General case' 0 CA--C 1.515 -0.402 0 O-C-N 119.212 -2.18 . . . . 0.0 112.081 -170.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.28 22.5 m . . . . . 0 N--CA 1.449 -0.495 0 C-N-CA 128.019 2.528 . . . . 0.0 112.563 170.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -107.03 96.3 6.33 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 126.541 1.937 . . . . 0.0 110.167 -153.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.447 -0.587 0 O-C-N 120.464 -1.398 . . . . 0.0 111.712 -164.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.3 10.3 t30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 48.8 t0 47.6 67.76 0.76 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 125.747 2.689 . . . . 0.0 113.251 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 C-N-CA 130.904 3.682 . . . . 0.0 115.681 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 N--CA 1.444 -0.73 0 CA-C-O 121.265 0.555 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.297 31.1 t70 51.48 68.12 0.85 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.796 2.438 . . . . 0.0 115.733 171.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.322 1.7 m . . . . . 0 N--CA 1.45 -0.454 0 C-N-CA 126.288 1.835 . . . . 0.0 113.594 -173.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 116.67 -1.634 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -115.53 -53.96 2.56 Favored 'General case' 0 N--CA 1.452 -0.369 1 CA-C-O 111.095 -4.288 . . . . 0.0 108.625 -173.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -48.13 109.93 0.28 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 124.395 3.27 . . . . 0.0 115.614 167.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.258 24.7 m 54.86 46.7 23.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.639 0.776 . . . . 0.0 112.287 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 124.107 1.908 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -103.19 -39.31 6.9 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.472 2.309 . . . . 0.0 111.933 -175.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -58.65 101.61 0.09 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 129.995 3.318 . . . . 0.0 107.291 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.389 7.3 m 59.62 29.63 19.2 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 130.564 3.545 . . . . 0.0 110.193 177.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.26 16.2 p . . . . . 0 CA--C 1.514 -0.439 0 CA-C-O 123.867 1.794 . . . . 0.0 113.175 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -106.69 -30.49 8.94 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 127.177 2.798 . . . . 0.0 108.031 -164.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -70.07 110.64 5.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 119.665 -1.897 . . . . 0.0 113.538 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m 73.87 0.28 3.58 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 118.455 -2.653 . . . . 0.0 112.277 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 34.4 p . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 119.461 3.134 . . . . 0.0 119.461 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -95.86 -33.13 12.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 118.192 2.664 . . . . 0.0 118.192 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -80.38 103.15 10.05 Favored 'General case' 0 N--CA 1.446 -0.668 1 C-N-CA 134.654 5.182 . . . . 0.0 111.648 -170.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.319 1.4 m 67.58 15.06 9.72 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 124.086 1.898 . . . . 0.0 111.105 -173.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -110.71 -44.95 3.56 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -50.95 113.21 0.86 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 123.907 1.813 . . . . 0.0 110.725 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.273 0.6 OUTLIER 54.02 19.76 2.17 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 112.729 -2.032 . . . . 0.0 116.058 179.425 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 68.5 p . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -125.91 -68.61 0.82 Allowed 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 119.672 -1.892 . . . . 0.0 114.224 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.05 113.82 15.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 122.652 1.215 . . . . 0.0 112.841 -166.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.415 0.2 OUTLIER 64.71 6.62 3.35 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.987 1.715 . . . . 0.0 112.559 -174.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . 0.419 ' HD3' ' HA ' ' A' ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.3 60.1 p . . . . . 0 N--CA 1.45 -0.458 0 CA-C-O 117.606 -1.188 . . . . 0.0 112.456 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -135.81 -77.3 0.43 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 120.508 1.503 . . . . 0.0 109.722 -159.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.4 114.59 4.4 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.945 0.879 . . . . 0.0 111.66 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.9 m 68.95 6.26 5.52 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 127.849 2.46 . . . . 0.0 110.944 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 71.3 p . . . . . 0 N--CA 1.447 -0.578 0 CA-C-O 120.224 0.059 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -144.1 -112.91 0.1 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-O 123.293 1.52 . . . . 0.0 107.023 -163.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 6' ' ' DSG . 22.4 t0 -66.66 135.52 54.18 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 118.696 -2.502 . . . . 0.0 111.959 -161.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.5 p 55.92 -19.92 0.01 OUTLIER 'General case' 0 C--O 1.236 0.385 0 CA-C-O 113.949 -2.929 . . . . 0.0 118.331 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . 0.474 ' H ' ' C ' ' A' ' 4' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 74.0 p . . . . . 0 CA--C 1.517 -0.317 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -149.72 -161.35 1.32 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 128.267 2.627 . . . . 0.0 112.959 -160.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.32 119.62 5.43 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 118.585 -2.572 . . . . 0.0 113.528 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.4 m 65.62 -1.57 1.0 Allowed 'General case' 0 C--O 1.222 -0.369 0 O-C-N 126.152 2.157 . . . . 0.0 115.316 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 114.841 -2.504 . . . . 0.0 115.338 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -121.6 -60.84 1.57 Allowed 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 118.672 -2.517 . . . . 0.0 116.115 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -83.38 116.34 22.43 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.38 1.072 . . . . 0.0 109.844 -161.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.387 43.9 p 68.68 -9.23 0.56 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 127.706 2.403 . . . . 0.0 114.589 -161.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.1 p . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.32 50.6 t30 -92.6 -36.59 12.91 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -149.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.313 43.6 t0 -141.37 124.57 16.45 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 130.086 3.354 . . . . 0.0 109.669 -177.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m 48.81 44.63 21.97 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 128.486 2.714 . . . . 0.0 117.334 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.443 -0.822 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -117.83 -37.81 3.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 116.731 -3.731 . . . . 0.0 113.765 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -145.34 130.2 18.21 Favored 'General case' 0 N--CA 1.451 -0.422 1 O-C-N 114.856 -4.902 . . . . 0.0 115.834 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.271 9.1 m 44.7 36.45 1.8 Allowed 'General case' 0 N--CA 1.447 -0.586 1 O-C-N 115.96 -4.213 . . . . 0.0 114.907 -179.992 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 N--CA 1.443 -0.789 0 CA-C-O 123.583 1.658 . . . . 0.0 113.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -130.8 -67.72 0.71 Allowed 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 125.856 1.662 . . . . 0.0 112.691 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.44 119.45 9.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 124.39 2.043 . . . . 0.0 112.473 -174.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 33.89 47.39 0.18 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 109.936 -3.302 . . . . 0.0 111.107 -166.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 123.854 1.788 . . . . 0.0 115.782 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -109.0 -46.79 3.54 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 113.626 -3.083 . . . . 0.0 112.335 -161.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -118.93 126.14 51.08 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 122.543 2.428 . . . . 0.0 111.306 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.327 15.1 t 46.98 34.04 2.55 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 127.823 2.449 . . . . 0.0 117.391 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 55.1 p . . . . . 0 N--CA 1.446 -0.659 0 CA-C-O 115.577 -2.154 . . . . 0.0 113.746 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -148.44 -55.09 0.2 Allowed 'General case' 0 C--O 1.235 0.297 0 C-N-CA 128.721 2.808 . . . . 0.0 112.436 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -50.27 85.59 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 129.811 3.244 . . . . 0.0 113.862 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.31 38.47 21.61 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 125.822 2.725 . . . . 0.0 113.381 -168.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.441 -0.899 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -119.24 -41.26 2.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 117.889 -1.053 . . . . 0.0 111.068 -171.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -57.15 119.38 6.26 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 126.029 2.823 . . . . 0.0 109.4 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.264 4.7 m 52.82 28.17 6.16 Favored 'General case' 0 N--CA 1.443 -0.816 1 O-C-N 115.186 -4.696 . . . . 0.0 114.749 177.983 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -84.16 -35.42 23.6 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 124.242 0.964 . . . . 0.0 113.41 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -135.62 117.81 15.52 Favored 'General case' 0 CA--C 1.515 -0.402 0 O-C-N 119.212 -2.18 . . . . 0.0 112.081 -170.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.28 22.5 m 53.22 22.89 2.86 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 128.019 2.528 . . . . 0.0 112.563 170.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.0 p . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 117.419 2.378 . . . . 0.0 117.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . 0.47 ' H ' ' C ' ' A' ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -123.7 -34.44 3.03 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 121.114 1.779 . . . . 0.0 114.556 -172.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -107.03 96.3 6.33 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 126.541 1.937 . . . . 0.0 110.167 -153.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m 30.95 40.96 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.464 -1.398 . . . . 0.0 111.712 -164.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . 0.47 ' C ' ' H ' ' A' ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.3 10.3 t30 -156.47 166.37 33.62 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.959 -1.473 . . . . 0.0 114.319 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 48.8 t0 47.6 67.76 0.76 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 125.747 2.689 . . . . 0.0 113.251 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 57.63 17.59 4.13 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 130.904 3.682 . . . . 0.0 115.681 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -167.24 152.26 7.26 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 119.698 -1.876 . . . . 0.0 110.175 -169.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.297 31.1 t70 51.48 68.12 0.85 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.796 2.438 . . . . 0.0 115.733 171.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.322 1.7 m 53.41 41.38 32.12 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.288 1.835 . . . . 0.0 113.594 -173.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 . . . . . 0 N--CA 1.452 -0.369 1 CA-C-O 111.095 -4.288 . . . . 0.0 108.625 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -48.13 109.93 0.28 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 124.395 3.27 . . . . 0.0 115.614 167.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.258 24.7 m . . . . . 0 N--CA 1.447 -0.593 0 C-N-CA 123.639 0.776 . . . . 0.0 112.287 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 . . . . . 0 C--O 1.235 0.29 0 CA-C-O 117.592 -1.194 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -58.65 101.61 0.09 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 129.995 3.318 . . . . 0.0 107.291 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.389 7.3 m . . . . . 0 N--CA 1.452 -0.357 0 C-N-CA 130.564 3.545 . . . . 0.0 110.193 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.4 m120 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -70.07 110.64 5.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 119.665 -1.897 . . . . 0.0 113.538 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.453 -0.315 0 O-C-N 118.455 -2.653 . . . . 0.0 112.277 176.601 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 118.192 2.664 . . . . 0.0 118.192 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -80.38 103.15 10.05 Favored 'General case' 0 N--CA 1.446 -0.668 1 C-N-CA 134.654 5.182 . . . . 0.0 111.648 -170.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.319 1.4 m . . . . . 0 N--CA 1.442 -0.85 0 CA-C-O 124.086 1.898 . . . . 0.0 111.105 -173.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 . . . . . 0 N--CA 1.443 -0.798 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -50.95 113.21 0.86 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 123.907 1.813 . . . . 0.0 110.725 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.273 0.6 OUTLIER . . . . . 0 N--CA 1.448 -0.569 0 CA-C-N 112.729 -2.032 . . . . 0.0 116.058 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 122.613 1.196 . . . . 0.0 114.224 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.05 113.82 15.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 122.652 1.215 . . . . 0.0 112.841 -166.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.415 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.652 0 C-N-CA 125.987 1.715 . . . . 0.0 112.559 -174.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.4 114.59 4.4 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.945 0.879 . . . . 0.0 111.66 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.443 -0.793 0 C-N-CA 127.849 2.46 . . . . 0.0 110.944 175.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 . . . . . 0 C--O 1.236 0.384 0 CA-C-O 123.293 1.52 . . . . 0.0 107.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.66 135.52 54.18 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 118.696 -2.502 . . . . 0.0 111.959 -161.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.5 p . . . . . 0 C--O 1.236 0.385 0 CA-C-O 113.949 -2.929 . . . . 0.0 118.331 -177.121 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.32 119.62 5.43 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 118.585 -2.572 . . . . 0.0 113.528 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 5' ' ' THR . 35.4 m . . . . . 0 C--O 1.222 -0.369 0 O-C-N 126.152 2.157 . . . . 0.0 115.316 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.9 m120 . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -83.38 116.34 22.43 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.38 1.072 . . . . 0.0 109.844 -161.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.387 43.9 p . . . . . 0 N--CA 1.45 -0.448 0 C-N-CA 127.706 2.403 . . . . 0.0 114.589 -161.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.32 50.6 t30 . . . . . 0 N--CA 1.444 -0.75 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.313 43.6 t0 -141.37 124.57 16.45 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 130.086 3.354 . . . . 0.0 109.669 -177.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.457 -0.114 0 C-N-CA 128.486 2.714 . . . . 0.0 117.334 -176.67 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 m120 . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -145.34 130.2 18.21 Favored 'General case' 0 N--CA 1.451 -0.422 1 O-C-N 114.856 -4.902 . . . . 0.0 115.834 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.271 9.1 m . . . . . 0 N--CA 1.447 -0.586 1 O-C-N 115.96 -4.213 . . . . 0.0 114.907 -179.992 . . . . . . . . 2 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 m120 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 117.858 -1.068 . . . . 0.0 112.691 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.44 119.45 9.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 124.39 2.043 . . . . 0.0 112.473 -174.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.446 -0.661 0 CA-C-N 109.936 -3.302 . . . . 0.0 111.107 -166.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 . . . . . 0 N--CA 1.443 -0.786 0 CA-C-O 113.626 -3.083 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -118.93 126.14 51.08 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 122.543 2.428 . . . . 0.0 111.306 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.327 15.1 t . . . . . 0 N--CA 1.442 -0.831 0 C-N-CA 127.823 2.449 . . . . 0.0 117.391 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.0 m120 . . . . . 0 C--O 1.235 0.297 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -50.27 85.59 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 129.811 3.244 . . . . 0.0 113.862 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 125.822 2.725 . . . . 0.0 113.381 -168.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.5 m120 . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 117.889 -1.053 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -57.15 119.38 6.26 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 126.029 2.823 . . . . 0.0 109.4 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.264 4.7 m . . . . . 0 N--CA 1.443 -0.816 1 O-C-N 115.186 -4.696 . . . . 0.0 114.749 177.983 . . . . . . . . 2 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 . . . . . 0 C--O 1.222 -0.362 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -135.62 117.81 15.52 Favored 'General case' 0 CA--C 1.515 -0.402 0 O-C-N 119.212 -2.18 . . . . 0.0 112.081 -170.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.28 22.5 m . . . . . 0 N--CA 1.449 -0.495 0 C-N-CA 128.019 2.528 . . . . 0.0 112.563 170.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -107.03 96.3 6.33 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 126.541 1.937 . . . . 0.0 110.167 -153.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.447 -0.587 0 O-C-N 120.464 -1.398 . . . . 0.0 111.712 -164.966 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.3 10.3 t30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 48.8 t0 47.6 67.76 0.76 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 125.747 2.689 . . . . 0.0 113.251 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 C-N-CA 130.904 3.682 . . . . 0.0 115.681 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 N--CA 1.444 -0.73 0 CA-C-O 121.265 0.555 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.297 31.1 t70 51.48 68.12 0.85 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.796 2.438 . . . . 0.0 115.733 171.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.322 1.7 m . . . . . 0 N--CA 1.45 -0.454 0 C-N-CA 126.288 1.835 . . . . 0.0 113.594 -173.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 116.67 -1.634 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -115.53 -53.96 2.56 Favored 'General case' 0 N--CA 1.452 -0.369 1 CA-C-O 111.095 -4.288 . . . . 0.0 108.625 -173.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -48.13 109.93 0.28 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 124.395 3.27 . . . . 0.0 115.614 167.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.258 24.7 m 54.86 46.7 23.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.639 0.776 . . . . 0.0 112.287 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 124.107 1.908 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -103.19 -39.31 6.9 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.472 2.309 . . . . 0.0 111.933 -175.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -58.65 101.61 0.09 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 129.995 3.318 . . . . 0.0 107.291 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.389 7.3 m 59.62 29.63 19.2 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 130.564 3.545 . . . . 0.0 110.193 177.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.26 16.2 p . . . . . 0 CA--C 1.514 -0.439 0 CA-C-O 123.867 1.794 . . . . 0.0 113.175 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -106.69 -30.49 8.94 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 127.177 2.798 . . . . 0.0 108.031 -164.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -70.07 110.64 5.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 119.665 -1.897 . . . . 0.0 113.538 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m 73.87 0.28 3.58 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 118.455 -2.653 . . . . 0.0 112.277 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 34.4 p . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 119.461 3.134 . . . . 0.0 119.461 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' DLY . . . . . 0.428 ' H ' ' C ' ' A' ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -95.86 -33.13 12.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 118.192 2.664 . . . . 0.0 118.192 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -80.38 103.15 10.05 Favored 'General case' 0 N--CA 1.446 -0.668 1 C-N-CA 134.654 5.182 . . . . 0.0 111.648 -170.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.319 1.4 m 67.58 15.06 9.72 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 124.086 1.898 . . . . 0.0 111.105 -173.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' DPR . . . . . 0.428 ' C ' ' H ' ' A' ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -110.71 -44.95 3.56 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -50.95 113.21 0.86 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 123.907 1.813 . . . . 0.0 110.725 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.273 0.6 OUTLIER 54.02 19.76 2.17 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 112.729 -2.032 . . . . 0.0 116.058 179.425 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 68.5 p . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -125.91 -68.61 0.82 Allowed 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 119.672 -1.892 . . . . 0.0 114.224 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.05 113.82 15.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 122.652 1.215 . . . . 0.0 112.841 -166.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.415 0.2 OUTLIER 64.71 6.62 3.35 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.987 1.715 . . . . 0.0 112.559 -174.394 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' DSG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' DPR . . . . . 0.424 ' HD2' ' HA ' ' A' ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.3 60.1 p . . . . . 0 N--CA 1.45 -0.458 0 CA-C-O 117.606 -1.188 . . . . 0.0 112.456 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -135.81 -77.3 0.43 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 120.508 1.503 . . . . 0.0 109.722 -159.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.4 114.59 4.4 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.945 0.879 . . . . 0.0 111.66 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.9 m 68.95 6.26 5.52 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 127.849 2.46 . . . . 0.0 110.944 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 71.3 p . . . . . 0 N--CA 1.447 -0.578 0 CA-C-O 120.224 0.059 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -144.1 -112.91 0.1 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-O 123.293 1.52 . . . . 0.0 107.023 -163.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.66 135.52 54.18 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 118.696 -2.502 . . . . 0.0 111.959 -161.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.5 p 55.92 -19.92 0.01 OUTLIER 'General case' 0 C--O 1.236 0.385 0 CA-C-O 113.949 -2.929 . . . . 0.0 118.331 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 74.0 p . . . . . 0 CA--C 1.517 -0.317 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -149.72 -161.35 1.32 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 128.267 2.627 . . . . 0.0 112.959 -160.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.32 119.62 5.43 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 118.585 -2.572 . . . . 0.0 113.528 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 5' ' ' THR . 35.4 m 65.62 -1.57 1.0 Allowed 'General case' 0 C--O 1.222 -0.369 0 O-C-N 126.152 2.157 . . . . 0.0 115.316 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 114.841 -2.504 . . . . 0.0 115.338 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -121.6 -60.84 1.57 Allowed 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 118.672 -2.517 . . . . 0.0 116.115 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -83.38 116.34 22.43 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.38 1.072 . . . . 0.0 109.844 -161.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.387 43.9 p 68.68 -9.23 0.56 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 127.706 2.403 . . . . 0.0 114.589 -161.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.1 p . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.32 50.6 t30 -92.6 -36.59 12.91 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -149.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.313 43.6 t0 -141.37 124.57 16.45 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 130.086 3.354 . . . . 0.0 109.669 -177.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m 48.81 44.63 21.97 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 128.486 2.714 . . . . 0.0 117.334 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.443 -0.822 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -117.83 -37.81 3.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 116.731 -3.731 . . . . 0.0 113.765 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -145.34 130.2 18.21 Favored 'General case' 0 N--CA 1.451 -0.422 1 O-C-N 114.856 -4.902 . . . . 0.0 115.834 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.271 9.1 m 44.7 36.45 1.8 Allowed 'General case' 0 N--CA 1.447 -0.586 1 O-C-N 115.96 -4.213 . . . . 0.0 114.907 -179.992 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 N--CA 1.443 -0.789 0 CA-C-O 123.583 1.658 . . . . 0.0 113.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -130.8 -67.72 0.71 Allowed 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 125.856 1.662 . . . . 0.0 112.691 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.44 119.45 9.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 124.39 2.043 . . . . 0.0 112.473 -174.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 33.89 47.39 0.18 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 109.936 -3.302 . . . . 0.0 111.107 -166.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' DSG . . . . . 0.428 ' HA ' ' HD2' ' A' ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' DPR . . . . . 0.428 ' HD2' ' HA ' ' A' ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 123.854 1.788 . . . . 0.0 115.782 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -109.0 -46.79 3.54 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 113.626 -3.083 . . . . 0.0 112.335 -161.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -118.93 126.14 51.08 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 122.543 2.428 . . . . 0.0 111.306 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.327 15.1 t 46.98 34.04 2.55 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 127.823 2.449 . . . . 0.0 117.391 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 55.1 p . . . . . 0 N--CA 1.446 -0.659 0 CA-C-O 115.577 -2.154 . . . . 0.0 113.746 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -148.44 -55.09 0.2 Allowed 'General case' 0 C--O 1.235 0.297 0 C-N-CA 128.721 2.808 . . . . 0.0 112.436 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -50.27 85.59 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 129.811 3.244 . . . . 0.0 113.862 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.31 38.47 21.61 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 125.822 2.725 . . . . 0.0 113.381 -168.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.441 -0.899 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -119.24 -41.26 2.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 117.889 -1.053 . . . . 0.0 111.068 -171.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -57.15 119.38 6.26 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 126.029 2.823 . . . . 0.0 109.4 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.264 4.7 m 52.82 28.17 6.16 Favored 'General case' 0 N--CA 1.443 -0.816 1 O-C-N 115.186 -4.696 . . . . 0.0 114.749 177.983 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -84.16 -35.42 23.6 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 124.242 0.964 . . . . 0.0 113.41 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -135.62 117.81 15.52 Favored 'General case' 0 CA--C 1.515 -0.402 0 O-C-N 119.212 -2.18 . . . . 0.0 112.081 -170.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.28 22.5 m 53.22 22.89 2.86 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 128.019 2.528 . . . . 0.0 112.563 170.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.0 p . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 117.419 2.378 . . . . 0.0 117.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -123.7 -34.44 3.03 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 121.114 1.779 . . . . 0.0 114.556 -172.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -107.03 96.3 6.33 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 126.541 1.937 . . . . 0.0 110.167 -153.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m 30.95 40.96 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.464 -1.398 . . . . 0.0 111.712 -164.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.3 10.3 t30 -156.47 166.37 33.62 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.959 -1.473 . . . . 0.0 114.319 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 48.8 t0 47.6 67.76 0.76 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 125.747 2.689 . . . . 0.0 113.251 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 57.63 17.59 4.13 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 130.904 3.682 . . . . 0.0 115.681 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -167.24 152.26 7.26 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 119.698 -1.876 . . . . 0.0 110.175 -169.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.297 31.1 t70 51.48 68.12 0.85 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.796 2.438 . . . . 0.0 115.733 171.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.322 1.7 m 53.41 41.38 32.12 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.288 1.835 . . . . 0.0 113.594 -173.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 . . . . . 0 N--CA 1.452 -0.369 1 CA-C-O 111.095 -4.288 . . . . 0.0 108.625 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -48.13 109.93 0.28 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 124.395 3.27 . . . . 0.0 115.614 167.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.258 24.7 m . . . . . 0 N--CA 1.447 -0.593 0 C-N-CA 123.639 0.776 . . . . 0.0 112.287 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 . . . . . 0 C--O 1.235 0.29 0 CA-C-O 117.592 -1.194 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -58.65 101.61 0.09 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 129.995 3.318 . . . . 0.0 107.291 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.389 7.3 m . . . . . 0 N--CA 1.452 -0.357 0 C-N-CA 130.564 3.545 . . . . 0.0 110.193 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.4 m120 . . . . . 0 N--CA 1.45 -0.442 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -70.07 110.64 5.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 119.665 -1.897 . . . . 0.0 113.538 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.453 -0.315 0 O-C-N 118.455 -2.653 . . . . 0.0 112.277 176.601 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 118.192 2.664 . . . . 0.0 118.192 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -80.38 103.15 10.05 Favored 'General case' 0 N--CA 1.446 -0.668 1 C-N-CA 134.654 5.182 . . . . 0.0 111.648 -170.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.319 1.4 m . . . . . 0 N--CA 1.442 -0.85 0 CA-C-O 124.086 1.898 . . . . 0.0 111.105 -173.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 . . . . . 0 N--CA 1.443 -0.798 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -50.95 113.21 0.86 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 123.907 1.813 . . . . 0.0 110.725 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.273 0.6 OUTLIER . . . . . 0 N--CA 1.448 -0.569 0 CA-C-N 112.729 -2.032 . . . . 0.0 116.058 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 122.613 1.196 . . . . 0.0 114.224 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.05 113.82 15.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 122.652 1.215 . . . . 0.0 112.841 -166.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.415 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.652 0 C-N-CA 125.987 1.715 . . . . 0.0 112.559 -174.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.4 114.59 4.4 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.945 0.879 . . . . 0.0 111.66 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.443 -0.793 0 C-N-CA 127.849 2.46 . . . . 0.0 110.944 175.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 . . . . . 0 C--O 1.236 0.384 0 CA-C-O 123.293 1.52 . . . . 0.0 107.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.66 135.52 54.18 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 118.696 -2.502 . . . . 0.0 111.959 -161.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.5 p . . . . . 0 C--O 1.236 0.385 0 CA-C-O 113.949 -2.929 . . . . 0.0 118.331 -177.121 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.32 119.62 5.43 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 118.585 -2.572 . . . . 0.0 113.528 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 5' ' ' THR . 35.4 m . . . . . 0 C--O 1.222 -0.369 0 O-C-N 126.152 2.157 . . . . 0.0 115.316 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.9 m120 . . . . . 0 CA--C 1.518 -0.265 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -83.38 116.34 22.43 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.38 1.072 . . . . 0.0 109.844 -161.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.387 43.9 p . . . . . 0 N--CA 1.45 -0.448 0 C-N-CA 127.706 2.403 . . . . 0.0 114.589 -161.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.32 50.6 t30 . . . . . 0 N--CA 1.444 -0.75 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.313 43.6 t0 -141.37 124.57 16.45 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 130.086 3.354 . . . . 0.0 109.669 -177.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.457 -0.114 0 C-N-CA 128.486 2.714 . . . . 0.0 117.334 -176.67 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 m120 . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -145.34 130.2 18.21 Favored 'General case' 0 N--CA 1.451 -0.422 1 O-C-N 114.856 -4.902 . . . . 0.0 115.834 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.271 9.1 m . . . . . 0 N--CA 1.447 -0.586 1 O-C-N 115.96 -4.213 . . . . 0.0 114.907 -179.992 . . . . . . . . 2 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 m120 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 117.858 -1.068 . . . . 0.0 112.691 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.44 119.45 9.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 124.39 2.043 . . . . 0.0 112.473 -174.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.446 -0.661 0 CA-C-N 109.936 -3.302 . . . . 0.0 111.107 -166.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 . . . . . 0 N--CA 1.443 -0.786 0 CA-C-O 113.626 -3.083 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -118.93 126.14 51.08 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 122.543 2.428 . . . . 0.0 111.306 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.327 15.1 t . . . . . 0 N--CA 1.442 -0.831 0 C-N-CA 127.823 2.449 . . . . 0.0 117.391 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.0 m120 . . . . . 0 C--O 1.235 0.297 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -50.27 85.59 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 129.811 3.244 . . . . 0.0 113.862 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 125.822 2.725 . . . . 0.0 113.381 -168.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.5 m120 . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 117.889 -1.053 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -57.15 119.38 6.26 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 126.029 2.823 . . . . 0.0 109.4 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.264 4.7 m . . . . . 0 N--CA 1.443 -0.816 1 O-C-N 115.186 -4.696 . . . . 0.0 114.749 177.983 . . . . . . . . 2 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 . . . . . 0 C--O 1.222 -0.362 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -135.62 117.81 15.52 Favored 'General case' 0 CA--C 1.515 -0.402 0 O-C-N 119.212 -2.18 . . . . 0.0 112.081 -170.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.28 22.5 m . . . . . 0 N--CA 1.449 -0.495 0 C-N-CA 128.019 2.528 . . . . 0.0 112.563 170.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -107.03 96.3 6.33 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 126.541 1.937 . . . . 0.0 110.167 -153.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.447 -0.587 0 O-C-N 120.464 -1.398 . . . . 0.0 111.712 -164.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.3 10.3 t30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 48.8 t0 47.6 67.76 0.76 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 125.747 2.689 . . . . 0.0 113.251 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.407 0 C-N-CA 130.904 3.682 . . . . 0.0 115.681 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 N--CA 1.444 -0.73 0 CA-C-O 121.265 0.555 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.297 31.1 t70 51.48 68.12 0.85 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.796 2.438 . . . . 0.0 115.733 171.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.322 1.7 m . . . . . 0 N--CA 1.45 -0.454 0 C-N-CA 126.288 1.835 . . . . 0.0 113.594 -173.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 116.67 -1.634 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -115.53 -53.96 2.56 Favored 'General case' 0 N--CA 1.452 -0.369 1 CA-C-O 111.095 -4.288 . . . . 0.0 108.625 -173.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -48.13 109.93 0.28 Allowed 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 124.395 3.27 . . . . 0.0 115.614 167.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.258 24.7 m 54.86 46.7 23.93 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 123.639 0.776 . . . . 0.0 112.287 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 124.107 1.908 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -103.19 -39.31 6.9 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 127.472 2.309 . . . . 0.0 111.933 -175.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -58.65 101.61 0.09 Allowed 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 129.995 3.318 . . . . 0.0 107.291 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.389 7.3 m 59.62 29.63 19.2 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 130.564 3.545 . . . . 0.0 110.193 177.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.26 16.2 p . . . . . 0 CA--C 1.514 -0.439 0 CA-C-O 123.867 1.794 . . . . 0.0 113.175 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -106.69 -30.49 8.94 Favored 'General case' 0 N--CA 1.45 -0.442 0 O-C-N 127.177 2.798 . . . . 0.0 108.031 -164.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -70.07 110.64 5.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 119.665 -1.897 . . . . 0.0 113.538 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m 73.87 0.28 3.58 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 118.455 -2.653 . . . . 0.0 112.277 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 34.4 p . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 119.461 3.134 . . . . 0.0 119.461 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . 0.428 ' H ' ' C ' ' A' ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -95.86 -33.13 12.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 118.192 2.664 . . . . 0.0 118.192 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -80.38 103.15 10.05 Favored 'General case' 0 N--CA 1.446 -0.668 1 C-N-CA 134.654 5.182 . . . . 0.0 111.648 -170.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.319 1.4 m 67.58 15.06 9.72 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 124.086 1.898 . . . . 0.0 111.105 -173.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . 0.428 ' C ' ' H ' ' A' ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -110.71 -44.95 3.56 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -50.95 113.21 0.86 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 123.907 1.813 . . . . 0.0 110.725 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.273 0.6 OUTLIER 54.02 19.76 2.17 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 112.729 -2.032 . . . . 0.0 116.058 179.425 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 68.5 p . . . . . 0 N--CA 1.445 -0.676 0 N-CA-C 115.496 1.665 . . . . 0.0 115.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -125.91 -68.61 0.82 Allowed 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 119.672 -1.892 . . . . 0.0 114.224 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -77.05 113.82 15.18 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 122.652 1.215 . . . . 0.0 112.841 -166.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.415 0.2 OUTLIER 64.71 6.62 3.35 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.987 1.715 . . . . 0.0 112.559 -174.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . 0.424 ' HD2' ' HA ' ' A' ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . 0.3 60.1 p . . . . . 0 N--CA 1.45 -0.458 0 CA-C-O 117.606 -1.188 . . . . 0.0 112.456 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -135.81 -77.3 0.43 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 120.508 1.503 . . . . 0.0 109.722 -159.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.4 114.59 4.4 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 121.945 0.879 . . . . 0.0 111.66 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.9 m 68.95 6.26 5.52 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 127.849 2.46 . . . . 0.0 110.944 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 71.3 p . . . . . 0 N--CA 1.447 -0.578 0 CA-C-O 120.224 0.059 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -144.1 -112.91 0.1 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-O 123.293 1.52 . . . . 0.0 107.023 -163.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.66 135.52 54.18 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 118.696 -2.502 . . . . 0.0 111.959 -161.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 54.5 p 55.92 -19.92 0.01 OUTLIER 'General case' 0 C--O 1.236 0.385 0 CA-C-O 113.949 -2.929 . . . . 0.0 118.331 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 74.0 p . . . . . 0 CA--C 1.517 -0.317 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -149.72 -161.35 1.32 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 128.267 2.627 . . . . 0.0 112.959 -160.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -54.32 119.62 5.43 Favored 'General case' 0 N--CA 1.444 -0.737 0 O-C-N 118.585 -2.572 . . . . 0.0 113.528 -175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 5' ' ' THR . 35.4 m 65.62 -1.57 1.0 Allowed 'General case' 0 C--O 1.222 -0.369 0 O-C-N 126.152 2.157 . . . . 0.0 115.316 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 114.841 -2.504 . . . . 0.0 115.338 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -121.6 -60.84 1.57 Allowed 'General case' 0 CA--C 1.518 -0.265 0 O-C-N 118.672 -2.517 . . . . 0.0 116.115 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -83.38 116.34 22.43 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 124.38 1.072 . . . . 0.0 109.844 -161.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.387 43.9 p 68.68 -9.23 0.56 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 127.706 2.403 . . . . 0.0 114.589 -161.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.1 p . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.32 50.6 t30 -92.6 -36.59 12.91 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -149.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.313 43.6 t0 -141.37 124.57 16.45 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 130.086 3.354 . . . . 0.0 109.669 -177.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m 48.81 44.63 21.97 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 128.486 2.714 . . . . 0.0 117.334 -176.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.443 -0.822 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -117.83 -37.81 3.37 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 116.731 -3.731 . . . . 0.0 113.765 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -145.34 130.2 18.21 Favored 'General case' 0 N--CA 1.451 -0.422 1 O-C-N 114.856 -4.902 . . . . 0.0 115.834 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.271 9.1 m 44.7 36.45 1.8 Allowed 'General case' 0 N--CA 1.447 -0.586 1 O-C-N 115.96 -4.213 . . . . 0.0 114.907 -179.992 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 N--CA 1.443 -0.789 0 CA-C-O 123.583 1.658 . . . . 0.0 113.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -130.8 -67.72 0.71 Allowed 'General case' 0 CA--C 1.519 -0.213 0 C-N-CA 125.856 1.662 . . . . 0.0 112.691 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -63.44 119.45 9.77 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 124.39 2.043 . . . . 0.0 112.473 -174.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 33.89 47.39 0.18 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 109.936 -3.302 . . . . 0.0 111.107 -166.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . 0.428 ' HA ' ' HD2' ' A' ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . 0.428 ' HD2' ' HA ' ' A' ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 123.854 1.788 . . . . 0.0 115.782 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -109.0 -46.79 3.54 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 113.626 -3.083 . . . . 0.0 112.335 -161.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -118.93 126.14 51.08 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 122.543 2.428 . . . . 0.0 111.306 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.327 15.1 t 46.98 34.04 2.55 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 127.823 2.449 . . . . 0.0 117.391 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 55.1 p . . . . . 0 N--CA 1.446 -0.659 0 CA-C-O 115.577 -2.154 . . . . 0.0 113.746 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -148.44 -55.09 0.2 Allowed 'General case' 0 C--O 1.235 0.297 0 C-N-CA 128.721 2.808 . . . . 0.0 112.436 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -50.27 85.59 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 129.811 3.244 . . . . 0.0 113.862 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.31 38.47 21.61 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 125.822 2.725 . . . . 0.0 113.381 -168.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.441 -0.899 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -119.24 -41.26 2.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 117.889 -1.053 . . . . 0.0 111.068 -171.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -57.15 119.38 6.26 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 126.029 2.823 . . . . 0.0 109.4 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.264 4.7 m 52.82 28.17 6.16 Favored 'General case' 0 N--CA 1.443 -0.816 1 O-C-N 115.186 -4.696 . . . . 0.0 114.749 177.983 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -84.16 -35.42 23.6 Favored 'General case' 0 C--O 1.222 -0.362 0 O-C-N 124.242 0.964 . . . . 0.0 113.41 -169.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -135.62 117.81 15.52 Favored 'General case' 0 CA--C 1.515 -0.402 0 O-C-N 119.212 -2.18 . . . . 0.0 112.081 -170.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.28 22.5 m 53.22 22.89 2.86 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 128.019 2.528 . . . . 0.0 112.563 170.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.0 p . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 117.419 2.378 . . . . 0.0 117.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -123.7 -34.44 3.03 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 121.114 1.779 . . . . 0.0 114.556 -172.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -107.03 96.3 6.33 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 126.541 1.937 . . . . 0.0 110.167 -153.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m 30.95 40.96 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.587 0 O-C-N 120.464 -1.398 . . . . 0.0 111.712 -164.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.3 10.3 t30 -156.47 166.37 33.62 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.959 -1.473 . . . . 0.0 114.319 -177.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 48.8 t0 47.6 67.76 0.76 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 125.747 2.689 . . . . 0.0 113.251 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 57.63 17.59 4.13 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 130.904 3.682 . . . . 0.0 115.681 -178.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -167.24 152.26 7.26 Favored 'General case' 0 N--CA 1.444 -0.73 0 O-C-N 119.698 -1.876 . . . . 0.0 110.175 -169.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . 0.297 31.1 t70 51.48 68.12 0.85 Allowed 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 127.796 2.438 . . . . 0.0 115.733 171.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.322 1.7 m 53.41 41.38 32.12 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.288 1.835 . . . . 0.0 113.594 -173.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' DSG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_