data_2i1h_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 2i1h _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.648 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 6.4 ppt_? . . . . . 0 C--O 1.232 0.139 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.592 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 11.7 p90 -156.13 -37.64 0.08 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.451 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.75 49.22 0.74 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.427 0.632 . . . . 0.0 112.356 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.685 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.5 p-90 -140.32 -39.66 0.43 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.847 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 4.7 p-90 -74.98 -18.82 60.32 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.216 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.882 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.4 m0 -53.77 -54.41 46.74 Favored Pre-proline 0 CA--C 1.478 -1.823 0 C-N-CA 119.376 -0.929 . . . . 0.0 109.167 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.882 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.4 Cg_exo -37.41 -44.89 1.5 Allowed 'Trans proline' 0 N--CA 1.418 -2.932 0 C-N-CA 121.866 1.71 . . . . 0.0 111.397 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.818 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.81 -62.67 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.894 177.197 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.847 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 33.3 mt . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.598 0.237 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.685 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -151.69 -41.72 0.11 Allowed 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.265 179.017 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.59 59.05 3.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.339 0.59 . . . . 0.0 111.818 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.715 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 p-90 -151.27 -40.34 0.12 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.669 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.854 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.0 p-90 -73.0 -16.5 61.51 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.459 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.927 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.6 m0 -58.22 -56.17 37.85 Favored Pre-proline 0 CA--C 1.485 -1.521 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.103 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.927 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 18.1 Cg_exo -41.47 -41.34 5.3 Favored 'Trans proline' 0 N--CA 1.426 -2.499 0 C-N-CA 122.15 1.9 . . . . 0.0 112.162 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.854 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -96.48 -61.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.074 177.827 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.723 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 17.9 mt . . . . . 0 C--N 1.333 -0.117 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.295 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.729 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.8 p90 -157.51 -38.14 0.07 Allowed 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.117 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.49 53.96 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.295 0.569 . . . . 0.0 111.936 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.713 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.8 p-90 -145.72 -40.77 0.22 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.692 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.856 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.6 p-90 -72.48 -17.88 61.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.667 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.965 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.7 m0 -57.79 -55.74 41.82 Favored Pre-proline 0 CA--C 1.486 -1.507 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.18 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.965 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 24.4 Cg_exo -42.13 -41.69 7.03 Favored 'Trans proline' 0 N--CA 1.424 -2.575 0 C-N-CA 122.108 1.872 . . . . 0.0 112.277 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.856 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.09 -61.18 1.53 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.62 177.684 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.741 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 17.5 mt . . . . . 0 N--CA 1.456 -0.148 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.865 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.588 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.4 p90 -153.86 -38.19 0.1 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.547 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -81.03 56.14 2.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.549 0.69 . . . . 0.0 111.601 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.697 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -148.03 -38.85 0.18 Allowed 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.384 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.803 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.5 p-90 -75.64 -16.21 60.24 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 113.934 -1.484 . . . . 0.0 111.372 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.856 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.8 m0 -56.35 -53.58 62.43 Favored Pre-proline 0 CA--C 1.481 -1.679 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.388 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.856 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 8.9 Cg_exo -38.93 -45.26 2.6 Favored 'Trans proline' 0 N--CA 1.416 -3.064 0 C-N-CA 121.271 1.314 . . . . 0.0 111.557 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.803 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.74 -60.46 1.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.673 177.2 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.765 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 25.2 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.168 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.557 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.1 ppt_? . . . . . 0 C--O 1.232 0.162 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.567 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.8 p90 -155.43 -38.79 0.09 Allowed 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.933 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.77 55.78 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.458 0.647 . . . . 0.0 112.026 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.718 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -146.85 -40.13 0.2 Allowed 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.372 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.844 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 3.8 p-90 -74.19 -17.56 60.88 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-N 113.637 -1.619 . . . . 0.0 110.857 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.896 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m0 -54.33 -55.66 34.75 Favored Pre-proline 0 CA--C 1.479 -1.774 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.472 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.896 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.3 Cg_exo -37.9 -43.82 1.63 Allowed 'Trans proline' 0 N--CA 1.419 -2.895 0 C-N-CA 121.955 1.77 . . . . 0.0 111.458 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.815 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.25 -63.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.838 177.266 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.844 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 39.4 mt . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.699 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.9 p90 -152.31 -39.67 0.11 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.248 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.48 56.75 2.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.388 0.613 . . . . 0.0 111.966 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.717 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -150.02 -39.66 0.14 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.481 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.869 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.7 p-90 -73.15 -15.67 61.46 Favored 'General case' 0 CA--C 1.485 -1.523 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.315 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.945 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -59.59 -55.74 42.85 Favored Pre-proline 0 CA--C 1.486 -1.512 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.23 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.945 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 18.5 Cg_exo -41.68 -43.04 6.35 Favored 'Trans proline' 0 N--CA 1.425 -2.528 0 C-N-CA 121.925 1.75 . . . . 0.0 112.191 -178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.869 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -93.02 -56.89 2.81 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.062 177.766 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.719 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.595 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.598 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.2 ppt_? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.636 0.255 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.746 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.6 p90 -155.65 -38.67 0.08 Allowed 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.254 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 54.03 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.31 0.576 . . . . 0.0 112.121 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.695 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.5 p-90 -146.19 -40.28 0.22 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.867 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.3 p-90 -72.85 -16.5 61.59 Favored 'General case' 0 CA--C 1.486 -1.485 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.549 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.939 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -59.38 -55.68 43.62 Favored Pre-proline 0 CA--C 1.486 -1.503 0 C-N-CA 118.823 -1.151 . . . . 0.0 109.231 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.939 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 19.5 Cg_exo -41.5 -42.89 5.87 Favored 'Trans proline' 0 N--CA 1.424 -2.563 0 C-N-CA 121.922 1.748 . . . . 0.0 112.235 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.867 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -93.66 -57.28 2.62 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.916 177.651 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.702 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.361 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.536 ' C ' ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.528 0.204 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.713 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.1 p90 -151.82 -40.85 0.11 Allowed 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.179 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.08 58.79 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.399 0.619 . . . . 0.0 111.911 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.707 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.5 p-90 -151.59 -41.6 0.11 Allowed 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.872 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.2 p-90 -71.93 -15.83 62.1 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.369 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.974 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.7 m0 -59.26 -56.91 31.2 Favored Pre-proline 0 CA--C 1.482 -1.663 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.27 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.974 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 24.1 Cg_exo -41.73 -42.42 6.28 Favored 'Trans proline' 0 N--CA 1.421 -2.736 0 C-N-CA 121.662 1.575 . . . . 0.0 112.058 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.872 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.5 -63.86 1.13 Allowed 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.243 177.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.796 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 16.9 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.314 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.542 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.4 ppt_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.575 0.226 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.658 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.1 p90 -156.13 -38.23 0.08 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.966 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.38 54.9 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.429 0.633 . . . . 0.0 111.888 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.711 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.3 p-90 -147.7 -40.85 0.17 Allowed 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.803 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.3 p-90 -72.07 -19.52 61.81 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.643 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.945 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.6 m95 -54.45 -57.17 19.89 Favored Pre-proline 0 CA--C 1.478 -1.792 0 C-N-CA 119.149 -1.02 . . . . 0.0 109.596 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.945 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -37.11 -41.45 0.76 Allowed 'Trans proline' 0 N--CA 1.417 -3.006 0 C-N-CA 121.901 1.734 . . . . 0.0 111.841 -178.444 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.803 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.35 -59.88 1.79 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.001 176.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.728 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 32.7 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.291 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 . . . . . 0 CA--C 1.508 -0.65 0 CA-C-O 121.38 0.61 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.649 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 11.3 p90 -164.51 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.482 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.559 ' N ' ' CG ' ' A' ' 4' ' ' PHE . . . -75.14 53.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.714 0.769 . . . . 0.0 110.908 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.833 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 18.9 p-90 -148.43 -45.42 0.15 Allowed 'General case' 0 CA--C 1.499 -1.007 0 CA-C-N 114.393 -1.276 . . . . 0.0 108.152 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.685 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 4.4 p-90 -68.92 -17.23 63.93 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.486 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 1.013 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.8 m95 -53.79 -58.95 11.0 Favored Pre-proline 0 CA--C 1.49 -1.352 0 C-N-CA 118.764 -1.174 . . . . 0.0 108.054 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 1.013 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 45.5 Cg_exo -45.05 -45.48 14.24 Favored 'Trans proline' 0 N--CA 1.429 -2.316 0 C-N-CA 122.355 2.036 . . . . 0.0 112.999 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.658 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -79.2 -61.8 1.9 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.018 179.131 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.685 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 13.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.352 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.674 0.273 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.714 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -151.59 -44.73 0.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.419 178.733 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.548 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -79.16 63.03 3.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.589 0.709 . . . . 0.0 110.615 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.879 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 15.8 p-90 -158.69 -44.64 0.06 Allowed 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.967 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.663 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 4.6 p-90 -67.24 -15.96 64.01 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.861 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 1.06 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.7 m95 -55.7 -60.24 9.15 Favored Pre-proline 0 CA--C 1.488 -1.42 0 C-N-CA 119.016 -1.074 . . . . 0.0 108.168 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 1.06 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 48.8 Cg_exo -45.08 -42.83 16.14 Favored 'Trans proline' 0 N--CA 1.425 -2.533 0 C-N-CA 121.968 1.779 . . . . 0.0 112.799 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.663 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -79.68 -63.72 1.35 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.62 0.724 . . . . 0.0 110.014 178.861 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.647 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 12.3 mt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.436 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? . . . . . 0 C--O 1.232 0.162 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.544 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 5.1 p90 -153.61 -38.34 0.1 Allowed 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.753 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.32 53.84 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.404 0.621 . . . . 0.0 112.102 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.708 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 p-90 -144.25 -39.69 0.28 Allowed 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.474 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.82 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 4.6 p-90 -74.55 -18.65 60.56 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.859 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.89 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.3 m0 -53.17 -55.43 34.12 Favored Pre-proline 0 CA--C 1.477 -1.842 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.349 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.89 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.2 Cg_exo -37.63 -43.74 1.44 Allowed 'Trans proline' 0 N--CA 1.418 -2.95 0 C-N-CA 121.925 1.75 . . . . 0.0 111.375 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.797 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.92 -63.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.007 177.242 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.82 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 39.7 mt . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.098 0.475 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.63 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 32.2 p90 -171.06 -39.54 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.331 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.97 49.19 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.498 0.666 . . . . 0.0 112.239 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.682 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 p-90 -141.8 -38.54 0.39 Allowed 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.817 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 3.7 p-90 -76.23 -16.75 59.76 Favored 'General case' 0 N--CA 1.424 -1.73 0 CA-C-N 113.885 -1.507 . . . . 0.0 111.406 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.832 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 8.1 m0 -56.2 -53.13 66.96 Favored Pre-proline 0 CA--C 1.481 -1.676 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.503 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.832 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 9.4 Cg_exo -38.99 -46.35 2.78 Favored 'Trans proline' 0 N--CA 1.416 -3.037 0 C-N-CA 121.35 1.366 . . . . 0.0 111.377 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.817 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -90.59 -61.26 1.71 Allowed 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.61 177.133 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.783 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 28.8 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.439 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.609 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 6.8 ppt_? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.636 0.255 . . . . 0.0 111.527 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.59 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.8 p90 -157.25 -36.68 0.07 Allowed 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.35 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.6 52.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.389 0.614 . . . . 0.0 111.918 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.694 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.7 p-90 -145.13 -38.51 0.26 Allowed 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.724 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.783 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 5.2 p-90 -75.45 -17.0 60.27 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.437 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.846 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.7 m0 -55.97 -53.64 60.95 Favored Pre-proline 0 CA--C 1.481 -1.689 0 C-N-CA 119.035 -1.066 . . . . 0.0 108.349 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.846 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 4.5 Cg_exo -37.85 -45.96 1.94 Allowed 'Trans proline' 0 N--CA 1.417 -3.008 0 C-N-CA 121.375 1.384 . . . . 0.0 111.193 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.778 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.12 -64.59 1.11 Allowed 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.421 176.779 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.783 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 24.8 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.285 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.543 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.637 0.256 . . . . 0.0 111.367 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.55 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 2.0 p90 -156.87 -37.5 0.08 Allowed 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 120.86 0.362 . . . . 0.0 111.196 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.12 56.44 3.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.517 0.675 . . . . 0.0 111.4 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.753 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.0 p-90 -148.4 -40.3 0.16 Allowed 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.34 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.761 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 4.8 p-90 -73.18 -18.3 61.28 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.053 -178.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.892 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m0 -52.32 -54.53 40.89 Favored Pre-proline 0 CA--C 1.485 -1.53 0 CA-C-O 122.222 1.011 . . . . 0.0 108.322 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.892 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 17.2 Cg_exo -41.07 -48.6 4.81 Favored 'Trans proline' 0 N--CA 1.42 -2.818 0 C-N-CA 121.655 1.57 . . . . 0.0 112.633 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.629 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -84.3 -56.05 3.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.489 0.662 . . . . 0.0 109.664 178.357 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.761 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 11.5 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.77 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.724 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.9 p90 -153.44 -39.36 0.1 Allowed 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.3 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.46 55.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 0.0 111.893 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.708 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.9 p-90 -147.4 -40.68 0.18 Allowed 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.888 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.2 p-90 -72.67 -16.75 61.69 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.12 -1.4 . . . . 0.0 111.659 -178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.977 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -58.79 -55.36 46.93 Favored Pre-proline 0 CA--C 1.485 -1.549 0 C-N-CA 118.926 -1.109 . . . . 0.0 109.469 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.977 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 22.9 Cg_exo -41.94 -43.56 7.0 Favored 'Trans proline' 0 N--CA 1.424 -2.578 0 C-N-CA 121.892 1.728 . . . . 0.0 112.159 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -92.27 -58.08 2.5 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.007 177.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.764 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.662 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.617 ' C ' ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.614 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 6.4 p90 -152.65 -38.57 0.11 Allowed 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.303 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -79.4 51.56 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.398 0.618 . . . . 0.0 112.163 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.694 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.6 p-90 -144.0 -38.56 0.3 Allowed 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.297 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.777 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.0 p-90 -75.44 -16.78 60.3 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.513 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.851 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.6 m0 -56.17 -53.36 64.47 Favored Pre-proline 0 CA--C 1.48 -1.728 0 C-N-CA 118.954 -1.098 . . . . 0.0 108.398 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.851 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 11.1 Cg_exo -38.86 -45.08 2.52 Favored 'Trans proline' 0 N--CA 1.417 -3.029 0 C-N-CA 121.301 1.334 . . . . 0.0 111.423 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.777 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.59 -61.64 1.6 Allowed 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.588 177.076 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.767 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 21.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.301 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.546 ' C ' ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.62 0.248 . . . . 0.0 111.306 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.625 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -152.99 -38.11 0.1 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.032 178.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' NE1' ' A' ' 8' ' ' TRP . . . -81.21 59.26 3.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.346 0.593 . . . . 0.0 111.51 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.799 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.6 p-90 -152.56 -41.88 0.1 Allowed 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 115.146 -0.933 . . . . 0.0 108.581 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.773 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 4.3 p-90 -71.13 -17.24 62.57 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.284 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 1.01 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.6 m0 -53.59 -56.25 26.85 Favored Pre-proline 0 CA--C 1.489 -1.373 0 CA-C-O 122.033 0.921 . . . . 0.0 108.831 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 1.01 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 33.5 Cg_exo -43.8 -48.43 8.99 Favored 'Trans proline' 0 N--CA 1.426 -2.466 0 C-N-CA 122.184 1.923 . . . . 0.0 112.814 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.643 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -82.11 -57.85 3.21 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.501 0.667 . . . . 0.0 110.246 178.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.773 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 13.6 mt . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.134 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.02 0.438 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.65 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 22.8 p90 -168.78 -41.58 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.986 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 4' ' ' PHE . . . -77.1 49.69 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.709 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.0 p-90 -141.48 -39.56 0.39 Allowed 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.818 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 3.0 p-90 -74.7 -18.65 60.48 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.768 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.897 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.8 m0 -53.21 -55.37 34.76 Favored Pre-proline 0 CA--C 1.479 -1.765 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.205 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.897 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.1 Cg_exo -37.64 -43.39 1.38 Allowed 'Trans proline' 0 N--CA 1.42 -2.848 0 C-N-CA 121.99 1.793 . . . . 0.0 111.292 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.801 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.63 -65.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.973 177.275 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.818 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . 36.6 mt . . . . . 0 C--N 1.33 -0.249 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.516 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.4 ppt_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.667 0.27 . . . . 0.0 111.475 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.609 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -154.09 -40.84 0.09 Allowed 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.093 178.797 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.19 59.83 4.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.39 0.614 . . . . 0.0 111.786 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.72 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.3 p-90 -153.2 -39.94 0.1 Allowed 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.122 -0.944 . . . . 0.0 108.615 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.772 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 3.3 p-90 -72.57 -17.94 61.66 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.434 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.939 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 9.9 m0 -54.99 -56.97 22.01 Favored Pre-proline 0 CA--C 1.478 -1.788 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.638 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.939 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -36.16 -41.18 0.5 Allowed 'Trans proline' 0 N--CA 1.419 -2.891 0 C-N-CA 121.997 1.798 . . . . 0.0 111.564 -178.516 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.753 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.52 -60.09 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.73 176.68 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.772 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . 33.7 mt . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.566 HG22 ' HB3' ' A' ' 6' ' ' TRP . 4.1 p . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.505 HH12 ' HE ' ' A' ' 3' ' ' ARG . 56.9 ttt-85 -66.63 -75.88 0.09 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.648 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 6.4 ppt_? -176.31 16.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.97 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.592 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 11.7 p90 -156.13 -37.64 0.08 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.451 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.75 49.22 0.74 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.427 0.632 . . . . 0.0 112.356 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.685 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.5 p-90 -140.32 -39.66 0.43 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.847 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 4.7 p-90 -74.98 -18.82 60.32 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.216 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.882 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.4 m0 -53.77 -54.41 46.74 Favored Pre-proline 0 CA--C 1.478 -1.823 0 C-N-CA 119.376 -0.929 . . . . 0.0 109.167 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.882 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.4 Cg_exo -37.41 -44.89 1.5 Allowed 'Trans proline' 0 N--CA 1.418 -2.932 0 C-N-CA 121.866 1.71 . . . . 0.0 111.397 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.818 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.81 -62.67 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.894 177.197 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.847 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 33.3 mt -50.23 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.824 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -46.14 -41.54 12.61 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.039 -177.459 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.629 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 37.7 ttt85 -67.17 -71.21 0.21 Allowed 'General case' 0 C--O 1.25 1.087 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 118.779 -2.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.502 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 2.9 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.86 0.362 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.866 ' HG3' ' HG3' ' A' ' 3' ' ' ARG . 12.3 tpp85 -65.91 -79.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.866 ' HG3' ' HG3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.27 24.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.27 178.416 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.685 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -151.69 -41.72 0.11 Allowed 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.265 179.017 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.59 59.05 3.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.339 0.59 . . . . 0.0 111.818 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.715 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 p-90 -151.27 -40.34 0.12 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.669 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.854 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.0 p-90 -73.0 -16.5 61.51 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.459 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.927 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.6 m0 -58.22 -56.17 37.85 Favored Pre-proline 0 CA--C 1.485 -1.521 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.103 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.927 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 18.1 Cg_exo -41.47 -41.34 5.3 Favored 'Trans proline' 0 N--CA 1.426 -2.499 0 C-N-CA 122.15 1.9 . . . . 0.0 112.162 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.854 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -96.48 -61.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.074 177.827 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.723 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 17.9 mt -42.97 -58.09 2.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.295 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.595 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 48.9 mtp85 -69.1 -57.95 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.242 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.609 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 48.6 ttp85 -64.45 -78.6 0.05 OUTLIER 'General case' 0 C--O 1.249 1.056 0 CA-C-O 118.112 -0.946 . . . . 0.0 110.939 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 1 O-C-N 114.247 -5.283 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.653 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.8 p . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.83 0.348 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -79.71 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -176.23 23.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.508 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.729 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.8 p90 -157.51 -38.14 0.07 Allowed 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.117 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.49 53.96 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.295 0.569 . . . . 0.0 111.936 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.713 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.8 p-90 -145.72 -40.77 0.22 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.692 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.856 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.6 p-90 -72.48 -17.88 61.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.667 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.965 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.7 m0 -57.79 -55.74 41.82 Favored Pre-proline 0 CA--C 1.486 -1.507 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.18 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.965 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 24.4 Cg_exo -42.13 -41.69 7.03 Favored 'Trans proline' 0 N--CA 1.424 -2.575 0 C-N-CA 122.108 1.872 . . . . 0.0 112.277 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.856 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.09 -61.18 1.53 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.62 177.684 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.741 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 17.5 mt -43.94 -57.85 3.09 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.865 -178.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.569 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 67.6 mtt-85 -75.93 -67.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.811 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.651 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 72.3 mtt-85 -67.68 -69.62 0.31 Allowed 'General case' 0 C--O 1.25 1.085 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.936 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 1 O-C-N 85.392 -23.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 2.4 p . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.781 0.324 . . . . 0.0 111.476 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.47 -66.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.83 24.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.71 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.588 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.4 p90 -153.86 -38.19 0.1 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.547 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -81.03 56.14 2.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.549 0.69 . . . . 0.0 111.601 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.697 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -148.03 -38.85 0.18 Allowed 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.384 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.803 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.5 p-90 -75.64 -16.21 60.24 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 113.934 -1.484 . . . . 0.0 111.372 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.856 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.8 m0 -56.35 -53.58 62.43 Favored Pre-proline 0 CA--C 1.481 -1.679 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.388 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.856 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 8.9 Cg_exo -38.93 -45.26 2.6 Favored 'Trans proline' 0 N--CA 1.416 -3.064 0 C-N-CA 121.271 1.314 . . . . 0.0 111.557 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.803 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.74 -60.46 1.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.673 177.2 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.765 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 25.2 mt -51.6 -56.15 15.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.168 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.661 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 17.4 mtp85 -74.89 -10.09 59.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.23 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.569 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 79.5 ttt180 -41.54 96.59 0.01 OUTLIER 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.39 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 118.647 0.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.538 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 3.5 p . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.838 0.352 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.652 ' HD3' ' HG3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.27 -71.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.652 ' HG3' ' HD3' ' A' ' 2' ' ' ARG . 7.1 ppt_? -176.1 22.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.565 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.567 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.8 p90 -155.43 -38.79 0.09 Allowed 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.933 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.77 55.78 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.458 0.647 . . . . 0.0 112.026 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.718 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -146.85 -40.13 0.2 Allowed 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.372 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.844 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 3.8 p-90 -74.19 -17.56 60.88 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-N 113.637 -1.619 . . . . 0.0 110.857 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.896 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m0 -54.33 -55.66 34.75 Favored Pre-proline 0 CA--C 1.479 -1.774 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.472 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.896 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.3 Cg_exo -37.9 -43.82 1.63 Allowed 'Trans proline' 0 N--CA 1.419 -2.895 0 C-N-CA 121.955 1.77 . . . . 0.0 111.458 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.815 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.25 -63.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.838 177.266 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.844 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 39.4 mt -50.65 -78.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.81 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 1.5 ptt180 -47.08 -40.94 16.22 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.986 -177.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.672 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 79.4 ttt180 -66.4 -71.52 0.19 Allowed 'General case' 0 C--O 1.25 1.093 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 119.127 0.876 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.809 HG22 ' HB3' ' A' ' 6' ' ' TRP . 3.2 m . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 -49.09 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.34 26.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.218 178.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.699 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.9 p90 -152.31 -39.67 0.11 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.248 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.48 56.75 2.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.388 0.613 . . . . 0.0 111.966 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.809 ' HB3' HG22 ' A' ' 1' ' ' VAL . 2.2 p-90 -150.02 -39.66 0.14 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.481 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.869 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.7 p-90 -73.15 -15.67 61.46 Favored 'General case' 0 CA--C 1.485 -1.523 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.315 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.945 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -59.59 -55.74 42.85 Favored Pre-proline 0 CA--C 1.486 -1.512 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.23 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.945 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 18.5 Cg_exo -41.68 -43.04 6.35 Favored 'Trans proline' 0 N--CA 1.425 -2.528 0 C-N-CA 121.925 1.75 . . . . 0.0 112.191 -178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.869 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -93.02 -56.89 2.81 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.062 177.766 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.719 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt -49.56 -55.62 12.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.595 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.56 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 38.3 mtp85 -87.34 13.2 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.936 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -49.82 101.32 0.03 OUTLIER 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.978 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 119.093 0.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 6' ' ' TRP . 3.0 p . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.573 ' HD2' ' HG3' ' A' ' 3' ' ' ARG . 1.6 tmt_? -78.0 -65.08 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.598 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.2 ppt_? -176.24 23.1 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.309 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.746 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.6 p90 -155.65 -38.67 0.08 Allowed 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.254 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 54.03 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.31 0.576 . . . . 0.0 112.121 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.695 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.5 p-90 -146.19 -40.28 0.22 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.867 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.3 p-90 -72.85 -16.5 61.59 Favored 'General case' 0 CA--C 1.486 -1.485 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.549 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.939 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -59.38 -55.68 43.62 Favored Pre-proline 0 CA--C 1.486 -1.503 0 C-N-CA 118.823 -1.151 . . . . 0.0 109.231 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.939 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 19.5 Cg_exo -41.5 -42.89 5.87 Favored 'Trans proline' 0 N--CA 1.424 -2.563 0 C-N-CA 121.922 1.748 . . . . 0.0 112.235 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.867 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -93.66 -57.28 2.62 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.916 177.651 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.702 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt -48.45 -55.75 10.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.361 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 39.8 mtp85 -88.97 14.36 10.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.751 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 29.7 tpt180 -55.88 93.04 0.01 OUTLIER 'General case' 0 C--O 1.249 1.055 0 CA-C-O 118.03 -0.986 . . . . 0.0 111.026 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 1 O-C-N 103.559 -11.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.7 HG13 ' HB3' ' A' ' 6' ' ' TRP . 94.3 t . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.638 0.256 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.477 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 75.4 ttt180 -72.83 -66.67 0.64 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.536 ' C ' ' HD3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -176.63 25.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.183 179.459 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.713 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.1 p90 -151.82 -40.85 0.11 Allowed 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.179 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.08 58.79 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.399 0.619 . . . . 0.0 111.911 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.707 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.5 p-90 -151.59 -41.6 0.11 Allowed 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.872 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.2 p-90 -71.93 -15.83 62.1 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.369 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.974 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.7 m0 -59.26 -56.91 31.2 Favored Pre-proline 0 CA--C 1.482 -1.663 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.27 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.974 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 24.1 Cg_exo -41.73 -42.42 6.28 Favored 'Trans proline' 0 N--CA 1.421 -2.736 0 C-N-CA 121.662 1.575 . . . . 0.0 112.058 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.872 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.5 -63.86 1.13 Allowed 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.243 177.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.796 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 16.9 mt -40.79 -53.03 2.93 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.314 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' A' ' 8' ' ' TRP . 37.6 mtp85 -67.52 -68.6 0.37 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.598 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 99.3 mtt180 -69.64 -74.53 0.13 Allowed 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.058 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 1 O-C-N 101.324 -13.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.724 HG22 ' HB3' ' A' ' 6' ' ' TRP . 3.3 p . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.349 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.426 ' HG2' HH11 ' A' ' 2' ' ' ARG . 47.5 ttt-85 -70.75 -75.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.542 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.4 ppt_? -176.16 22.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.453 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.658 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.1 p90 -156.13 -38.23 0.08 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.966 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.38 54.9 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.429 0.633 . . . . 0.0 111.888 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.724 ' HB3' HG22 ' A' ' 1' ' ' VAL . 2.3 p-90 -147.7 -40.85 0.17 Allowed 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.803 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.3 p-90 -72.07 -19.52 61.81 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.643 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 1.046 ' HB3' ' HD2' ' A' ' 12' ' ' ARG . 10.6 m95 -54.45 -57.17 19.89 Favored Pre-proline 0 CA--C 1.478 -1.792 0 C-N-CA 119.149 -1.02 . . . . 0.0 109.596 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.945 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -37.11 -41.45 0.76 Allowed 'Trans proline' 0 N--CA 1.417 -3.006 0 C-N-CA 121.901 1.734 . . . . 0.0 111.841 -178.444 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.803 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.35 -59.88 1.79 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.001 176.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.728 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 32.7 mt -53.61 -65.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.291 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 1.046 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -74.9 5.02 5.53 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.929 -178.606 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 5.8 tmm_? -50.1 95.22 0.01 OUTLIER 'General case' 0 C--O 1.249 1.059 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.814 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 1 O-C-N 109.442 -8.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.586 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 2.4 p . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.971 0.415 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 2' ' ' ARG . 40.9 mmt-85 -70.12 -125.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.206 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -144.56 21.35 1.67 Allowed 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.38 0.61 . . . . 0.0 109.913 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.649 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 11.3 p90 -164.51 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.482 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.559 ' N ' ' CG ' ' A' ' 4' ' ' PHE . . . -75.14 53.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.714 0.769 . . . . 0.0 110.908 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.833 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 18.9 p-90 -148.43 -45.42 0.15 Allowed 'General case' 0 CA--C 1.499 -1.007 0 CA-C-N 114.393 -1.276 . . . . 0.0 108.152 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.685 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 4.4 p-90 -68.92 -17.23 63.93 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.486 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 1.013 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.8 m95 -53.79 -58.95 11.0 Favored Pre-proline 0 CA--C 1.49 -1.352 0 C-N-CA 118.764 -1.174 . . . . 0.0 108.054 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 1.013 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 45.5 Cg_exo -45.05 -45.48 14.24 Favored 'Trans proline' 0 N--CA 1.429 -2.316 0 C-N-CA 122.355 2.036 . . . . 0.0 112.999 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.658 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -79.2 -61.8 1.9 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.018 179.131 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.685 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 13.6 mt -55.94 -67.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.352 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.603 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 64.3 mtt-85 -66.5 -64.59 0.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.99 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.616 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 58.8 ttt-85 -70.9 2.96 3.67 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-O 118.012 -0.994 . . . . 0.0 111.169 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 1 O-C-N 99.371 -14.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.703 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 2.6 p . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -62.6 -82.41 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.11 25.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.303 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.714 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -151.59 -44.73 0.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.419 178.733 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.548 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -79.16 63.03 3.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.589 0.709 . . . . 0.0 110.615 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.879 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 15.8 p-90 -158.69 -44.64 0.06 Allowed 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.967 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.663 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 4.6 p-90 -67.24 -15.96 64.01 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.861 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 1.06 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.7 m95 -55.7 -60.24 9.15 Favored Pre-proline 0 CA--C 1.488 -1.42 0 C-N-CA 119.016 -1.074 . . . . 0.0 108.168 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 1.06 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 48.8 Cg_exo -45.08 -42.83 16.14 Favored 'Trans proline' 0 N--CA 1.425 -2.533 0 C-N-CA 121.968 1.779 . . . . 0.0 112.799 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.663 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -79.68 -63.72 1.35 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.62 0.724 . . . . 0.0 110.014 178.861 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.647 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 12.3 mt -56.16 -65.77 0.55 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.436 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.602 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 70.4 mtt-85 -65.81 -67.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.604 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 4.4 tmm_? -65.01 -42.79 94.14 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 118.012 -0.995 . . . . 0.0 110.525 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 1 O-C-N 109.143 -8.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.814 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.9 m . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.436 0.16 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.767 ' HD3' ' HG3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -54.75 -69.86 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.082 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.767 ' HG3' ' HD3' ' A' ' 2' ' ' ARG . 6.2 ppt_? -176.96 24.56 0.0 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.863 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.544 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 5.1 p90 -153.61 -38.34 0.1 Allowed 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.753 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.32 53.84 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.404 0.621 . . . . 0.0 112.102 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.814 ' HB3' HG21 ' A' ' 1' ' ' VAL . 2.1 p-90 -144.25 -39.69 0.28 Allowed 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.474 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.82 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 4.6 p-90 -74.55 -18.65 60.56 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.859 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.89 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.3 m0 -53.17 -55.43 34.12 Favored Pre-proline 0 CA--C 1.477 -1.842 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.349 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.89 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.2 Cg_exo -37.63 -43.74 1.44 Allowed 'Trans proline' 0 N--CA 1.418 -2.95 0 C-N-CA 121.925 1.75 . . . . 0.0 111.375 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.797 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.92 -63.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.007 177.242 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.82 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 39.7 mt -49.74 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.833 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -52.38 -43.95 65.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.362 -177.32 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.718 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 46.8 ttm-85 -68.89 -75.94 0.1 Allowed 'General case' 0 C--O 1.25 1.091 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.011 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 120.73 -1.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.5 p . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.861 0.362 . . . . 0.0 111.626 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 3' ' ' ARG . 28.9 tpt85 -68.92 -116.13 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 2' ' ' ARG . 16.3 mmt180 -147.43 30.18 0.93 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.098 0.475 . . . . 0.0 110.289 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.63 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 32.2 p90 -171.06 -39.54 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.331 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.97 49.19 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.498 0.666 . . . . 0.0 112.239 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.682 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 p-90 -141.8 -38.54 0.39 Allowed 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.817 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 3.7 p-90 -76.23 -16.75 59.76 Favored 'General case' 0 N--CA 1.424 -1.73 0 CA-C-N 113.885 -1.507 . . . . 0.0 111.406 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.832 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 8.1 m0 -56.2 -53.13 66.96 Favored Pre-proline 0 CA--C 1.481 -1.676 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.503 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.832 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 9.4 Cg_exo -38.99 -46.35 2.78 Favored 'Trans proline' 0 N--CA 1.416 -3.037 0 C-N-CA 121.35 1.366 . . . . 0.0 111.377 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.817 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -90.59 -61.26 1.71 Allowed 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.61 177.133 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.783 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 28.8 mt -50.92 -56.25 13.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.439 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.655 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 33.5 mtp180 -75.05 -9.09 58.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.42 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 39.5 ttm180 -41.43 96.06 0.01 OUTLIER 'General case' 0 C--O 1.249 1.066 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.359 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 119.024 -2.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.7 p . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.803 0.335 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.416 ' HG3' HH11 ' A' ' 2' ' ' ARG . 0.0 OUTLIER -76.22 -64.74 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.762 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.609 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 6.8 ppt_? -176.27 23.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.59 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.8 p90 -157.25 -36.68 0.07 Allowed 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.35 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.6 52.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.389 0.614 . . . . 0.0 111.918 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.694 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.7 p-90 -145.13 -38.51 0.26 Allowed 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.724 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.783 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 5.2 p-90 -75.45 -17.0 60.27 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.437 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.846 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.7 m0 -55.97 -53.64 60.95 Favored Pre-proline 0 CA--C 1.481 -1.689 0 C-N-CA 119.035 -1.066 . . . . 0.0 108.349 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.846 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 4.5 Cg_exo -37.85 -45.96 1.94 Allowed 'Trans proline' 0 N--CA 1.417 -3.008 0 C-N-CA 121.375 1.384 . . . . 0.0 111.193 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.778 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.12 -64.59 1.11 Allowed 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.421 176.779 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.783 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 24.8 mt -47.29 -55.25 9.07 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.285 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.598 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 8.8 mtp85 -78.03 36.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.682 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HB2' ' O ' ' A' ' 10' ' ' PHE . 33.3 tpt85 -53.43 99.92 0.03 OUTLIER 'General case' 0 C--O 1.249 1.045 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 112.368 -6.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.596 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 3.3 p . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.389 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.534 ' HD2' ' HG3' ' A' ' 3' ' ' ARG . 1.3 tmt_? -77.73 -66.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.543 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -176.59 25.44 0.0 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.367 178.408 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.55 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 2.0 p90 -156.87 -37.5 0.08 Allowed 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 120.86 0.362 . . . . 0.0 111.196 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.12 56.44 3.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.517 0.675 . . . . 0.0 111.4 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.753 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.0 p-90 -148.4 -40.3 0.16 Allowed 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.34 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.761 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 4.8 p-90 -73.18 -18.3 61.28 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.053 -178.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.892 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m0 -52.32 -54.53 40.89 Favored Pre-proline 0 CA--C 1.485 -1.53 0 CA-C-O 122.222 1.011 . . . . 0.0 108.322 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.892 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 17.2 Cg_exo -41.07 -48.6 4.81 Favored 'Trans proline' 0 N--CA 1.42 -2.818 0 C-N-CA 121.655 1.57 . . . . 0.0 112.633 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.629 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -84.3 -56.05 3.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.489 0.662 . . . . 0.0 109.664 178.357 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.761 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 11.5 mt -59.41 -63.6 1.24 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.77 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.701 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 50.5 mtt-85 -68.98 -3.6 13.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.143 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 60.2 ttp180 -42.45 97.64 0.01 OUTLIER 'General case' 0 C--O 1.248 1.02 0 CA-C-O 118.077 -0.964 . . . . 0.0 111.374 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 O-C-N 120.508 -1.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.649 HG22 ' HB3' ' A' ' 6' ' ' TRP . 7.3 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.777 0.322 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.1 mtt85 -60.08 -75.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.29 22.49 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.939 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.724 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.9 p90 -153.44 -39.36 0.1 Allowed 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.3 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.46 55.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 0.0 111.893 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.708 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.9 p-90 -147.4 -40.68 0.18 Allowed 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.888 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.2 p-90 -72.67 -16.75 61.69 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.12 -1.4 . . . . 0.0 111.659 -178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.977 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -58.79 -55.36 46.93 Favored Pre-proline 0 CA--C 1.485 -1.549 0 C-N-CA 118.926 -1.109 . . . . 0.0 109.469 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.977 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 22.9 Cg_exo -41.94 -43.56 7.0 Favored 'Trans proline' 0 N--CA 1.424 -2.578 0 C-N-CA 121.892 1.728 . . . . 0.0 112.159 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -92.27 -58.08 2.5 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.007 177.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.764 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt -48.41 -55.42 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.662 -178.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.569 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 36.5 mtp85 -87.95 15.7 6.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.134 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' C ' ' HD3' ' A' ' 13' ' ' ARG . 3.5 tmt_? -49.16 100.7 0.02 OUTLIER 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.507 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 O-C-N 118.807 -2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.689 HG22 ' HB3' ' A' ' 6' ' ' TRP . 3.2 m . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.454 0.169 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.718 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 40.6 ttt85 -54.62 -68.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.718 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -176.38 23.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.415 179.48 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.614 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 6.4 p90 -152.65 -38.57 0.11 Allowed 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.303 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -79.4 51.56 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.398 0.618 . . . . 0.0 112.163 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.694 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.6 p-90 -144.0 -38.56 0.3 Allowed 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.297 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.777 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.0 p-90 -75.44 -16.78 60.3 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.513 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.851 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.6 m0 -56.17 -53.36 64.47 Favored Pre-proline 0 CA--C 1.48 -1.728 0 C-N-CA 118.954 -1.098 . . . . 0.0 108.398 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.851 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 11.1 Cg_exo -38.86 -45.08 2.52 Favored 'Trans proline' 0 N--CA 1.417 -3.029 0 C-N-CA 121.301 1.334 . . . . 0.0 111.423 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.777 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.59 -61.64 1.6 Allowed 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.588 177.076 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.767 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 21.7 mt -50.65 -55.89 14.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.301 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.68 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 19.1 mtp85 -76.27 -7.77 55.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.409 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 2.4 tmm_? -44.17 96.72 0.01 OUTLIER 'General case' 0 C--O 1.249 1.054 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.818 -178.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 O-C-N 120.062 -1.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.594 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 2.9 p . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.886 0.374 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.632 ' HD2' ' HG3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -78.6 -63.61 1.37 Allowed 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.632 ' HG3' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.98 24.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.306 179.1 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.625 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -152.99 -38.11 0.1 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.032 178.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' NE1' ' A' ' 8' ' ' TRP . . . -81.21 59.26 3.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.346 0.593 . . . . 0.0 111.51 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.799 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.6 p-90 -152.56 -41.88 0.1 Allowed 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 115.146 -0.933 . . . . 0.0 108.581 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.773 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 4.3 p-90 -71.13 -17.24 62.57 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.284 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 1.01 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.6 m0 -53.59 -56.25 26.85 Favored Pre-proline 0 CA--C 1.489 -1.373 0 CA-C-O 122.033 0.921 . . . . 0.0 108.831 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 1.01 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 33.5 Cg_exo -43.8 -48.43 8.99 Favored 'Trans proline' 0 N--CA 1.426 -2.466 0 C-N-CA 122.184 1.923 . . . . 0.0 112.814 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.643 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -82.11 -57.85 3.21 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.501 0.667 . . . . 0.0 110.246 178.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.773 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 13.6 mt -53.49 -61.76 2.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.134 -178.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.608 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 87.8 mtt180 -78.85 7.82 6.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.986 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 37.0 tpt85 -47.52 101.54 0.03 OUTLIER 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.039 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 115.855 -4.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.779 HG21 ' HB3' ' A' ' 6' ' ' TRP . 4.2 m . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.557 ' HG3' ' H ' ' A' ' 3' ' ' ARG . 22.3 tpp180 -76.23 -120.39 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.557 ' H ' ' HG3' ' A' ' 2' ' ' ARG . 12.3 mmt85 -140.47 29.77 1.95 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.02 0.438 . . . . 0.0 110.24 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.65 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 22.8 p90 -168.78 -41.58 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.986 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 4' ' ' PHE . . . -77.1 49.69 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.779 ' HB3' HG21 ' A' ' 1' ' ' VAL . 2.0 p-90 -141.48 -39.56 0.39 Allowed 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.818 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 3.0 p-90 -74.7 -18.65 60.48 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.768 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.897 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.8 m0 -53.21 -55.37 34.76 Favored Pre-proline 0 CA--C 1.479 -1.765 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.205 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.897 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.1 Cg_exo -37.64 -43.39 1.38 Allowed 'Trans proline' 0 N--CA 1.42 -2.848 0 C-N-CA 121.99 1.793 . . . . 0.0 111.292 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.801 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.63 -65.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.973 177.275 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.818 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . 36.6 mt -48.35 -75.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.818 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 1.1 ptt180 -51.04 -42.3 60.4 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.144 -177.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.669 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 40.3 ttm180 -67.31 -81.33 0.03 OUTLIER 'General case' 0 C--O 1.249 1.027 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.857 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 1 O-C-N 112.285 -6.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.54 HG23 ' HB3' ' A' ' 6' ' ' TRP . 2.7 p . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.848 0.356 . . . . 0.0 111.347 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -73.84 -72.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.516 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.4 ppt_? -176.23 26.25 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.475 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.609 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -154.09 -40.84 0.09 Allowed 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.093 178.797 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.19 59.83 4.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.39 0.614 . . . . 0.0 111.786 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.72 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.3 p-90 -153.2 -39.94 0.1 Allowed 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.122 -0.944 . . . . 0.0 108.615 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.772 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 3.3 p-90 -72.57 -17.94 61.66 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.434 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 1.07 ' HB3' ' HD2' ' A' ' 12' ' ' ARG . 9.9 m0 -54.99 -56.97 22.01 Favored Pre-proline 0 CA--C 1.478 -1.788 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.638 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.939 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -36.16 -41.18 0.5 Allowed 'Trans proline' 0 N--CA 1.419 -2.891 0 C-N-CA 121.997 1.798 . . . . 0.0 111.564 -178.516 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.753 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.52 -60.09 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.73 176.68 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.772 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . 33.7 mt -54.82 -80.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 1.07 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -51.4 -32.18 25.4 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -177.635 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.77 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 79.0 ttt180 -72.12 -71.67 0.27 Allowed 'General case' 0 C--O 1.248 1.004 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 O-C-N 119.224 -2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.658 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 6.4 ppt_? . . . . . 0 C--O 1.232 0.139 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 11.7 p90 -156.13 -37.64 0.08 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.451 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.75 49.22 0.74 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.427 0.632 . . . . 0.0 112.356 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.676 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.5 p-90 -140.32 -39.66 0.43 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.874 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 4.7 p-90 -74.98 -18.82 60.32 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.216 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.926 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.4 m0 -53.77 -54.41 46.74 Favored Pre-proline 0 CA--C 1.478 -1.823 0 C-N-CA 119.376 -0.929 . . . . 0.0 109.167 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.926 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.4 Cg_exo -37.41 -44.89 1.5 Allowed 'Trans proline' 0 N--CA 1.418 -2.932 0 C-N-CA 121.866 1.71 . . . . 0.0 111.397 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.81 -62.67 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.894 177.197 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.874 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 33.3 mt . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.598 0.237 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.72 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -151.69 -41.72 0.11 Allowed 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.265 179.017 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.59 59.05 3.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.339 0.59 . . . . 0.0 111.818 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.72 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 p-90 -151.27 -40.34 0.12 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.669 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.888 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.0 p-90 -73.0 -16.5 61.51 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.459 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.988 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.6 m0 -58.22 -56.17 37.85 Favored Pre-proline 0 CA--C 1.485 -1.521 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.103 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.988 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 18.1 Cg_exo -41.47 -41.34 5.3 Favored 'Trans proline' 0 N--CA 1.426 -2.499 0 C-N-CA 122.15 1.9 . . . . 0.0 112.162 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -96.48 -61.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.074 177.827 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.751 HD12 ' CD2' ' A' ' 7' ' ' TRP . 17.9 mt . . . . . 0 C--N 1.333 -0.117 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.295 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.532 ' HD3' ' O ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.766 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.8 p90 -157.51 -38.14 0.07 Allowed 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.117 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.49 53.96 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.295 0.569 . . . . 0.0 111.936 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.72 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.8 p-90 -145.72 -40.77 0.22 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.692 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.89 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.6 p-90 -72.48 -17.88 61.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.667 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.949 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.7 m0 -57.79 -55.74 41.82 Favored Pre-proline 0 CA--C 1.486 -1.507 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.18 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.949 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 24.4 Cg_exo -42.13 -41.69 7.03 Favored 'Trans proline' 0 N--CA 1.424 -2.575 0 C-N-CA 122.108 1.872 . . . . 0.0 112.277 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.89 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.09 -61.18 1.53 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.62 177.684 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.723 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 17.5 mt . . . . . 0 N--CA 1.456 -0.148 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.865 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.609 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.4 p90 -153.86 -38.19 0.1 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.547 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -81.03 56.14 2.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.549 0.69 . . . . 0.0 111.601 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.69 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -148.03 -38.85 0.18 Allowed 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.384 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.839 ' CD2' HD12 ' A' ' 11' ' ' LEU . 4.5 p-90 -75.64 -16.21 60.24 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 113.934 -1.484 . . . . 0.0 111.372 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.871 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.8 m0 -56.35 -53.58 62.43 Favored Pre-proline 0 CA--C 1.481 -1.679 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.388 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.871 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 8.9 Cg_exo -38.93 -45.26 2.6 Favored 'Trans proline' 0 N--CA 1.416 -3.064 0 C-N-CA 121.271 1.314 . . . . 0.0 111.557 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.832 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.74 -60.46 1.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.673 177.2 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.839 HD12 ' CD2' ' A' ' 7' ' ' TRP . 25.2 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.168 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.568 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.1 ppt_? . . . . . 0 C--O 1.232 0.162 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.599 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.8 p90 -155.43 -38.79 0.09 Allowed 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.933 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.77 55.78 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.458 0.647 . . . . 0.0 112.026 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.711 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -146.85 -40.13 0.2 Allowed 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.372 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.872 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 3.8 p-90 -74.19 -17.56 60.88 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-N 113.637 -1.619 . . . . 0.0 110.857 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.924 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m0 -54.33 -55.66 34.75 Favored Pre-proline 0 CA--C 1.479 -1.774 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.472 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.924 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.3 Cg_exo -37.9 -43.82 1.63 Allowed 'Trans proline' 0 N--CA 1.419 -2.895 0 C-N-CA 121.955 1.77 . . . . 0.0 111.458 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.848 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.25 -63.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.838 177.266 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.872 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 39.4 mt . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.73 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.9 p90 -152.31 -39.67 0.11 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.248 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.48 56.75 2.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.388 0.613 . . . . 0.0 111.966 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.719 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -150.02 -39.66 0.14 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.481 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.902 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.7 p-90 -73.15 -15.67 61.46 Favored 'General case' 0 CA--C 1.485 -1.523 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.315 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.953 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -59.59 -55.74 42.85 Favored Pre-proline 0 CA--C 1.486 -1.512 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.23 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.953 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 18.5 Cg_exo -41.68 -43.04 6.35 Favored 'Trans proline' 0 N--CA 1.425 -2.528 0 C-N-CA 121.925 1.75 . . . . 0.0 112.191 -178.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.902 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -93.02 -56.89 2.81 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.062 177.766 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.704 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.595 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.608 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.2 ppt_? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.636 0.255 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.785 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.6 p90 -155.65 -38.67 0.08 Allowed 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.254 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 54.03 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.31 0.576 . . . . 0.0 112.121 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.701 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.5 p-90 -146.19 -40.28 0.22 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.901 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.3 p-90 -72.85 -16.5 61.59 Favored 'General case' 0 CA--C 1.486 -1.485 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.549 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.965 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -59.38 -55.68 43.62 Favored Pre-proline 0 CA--C 1.486 -1.503 0 C-N-CA 118.823 -1.151 . . . . 0.0 109.231 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.965 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 19.5 Cg_exo -41.5 -42.89 5.87 Favored 'Trans proline' 0 N--CA 1.424 -2.563 0 C-N-CA 121.922 1.748 . . . . 0.0 112.235 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.901 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -93.66 -57.28 2.62 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.916 177.651 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.698 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.361 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.521 ' HD3' ' C ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.528 0.204 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.745 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.1 p90 -151.82 -40.85 0.11 Allowed 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.179 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.08 58.79 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.399 0.619 . . . . 0.0 111.911 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.711 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.5 p-90 -151.59 -41.6 0.11 Allowed 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.902 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.2 p-90 -71.93 -15.83 62.1 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.369 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.984 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.7 m0 -59.26 -56.91 31.2 Favored Pre-proline 0 CA--C 1.482 -1.663 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.27 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.984 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 24.1 Cg_exo -41.73 -42.42 6.28 Favored 'Trans proline' 0 N--CA 1.421 -2.736 0 C-N-CA 121.662 1.575 . . . . 0.0 112.058 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.902 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.5 -63.86 1.13 Allowed 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.243 177.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.782 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 16.9 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.314 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.553 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.4 ppt_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.575 0.226 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.709 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.1 p90 -156.13 -38.23 0.08 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.966 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.38 54.9 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.429 0.633 . . . . 0.0 111.888 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.712 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.3 p-90 -147.7 -40.85 0.17 Allowed 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.838 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.3 p-90 -72.07 -19.52 61.81 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.643 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.968 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.6 m95 -54.45 -57.17 19.89 Favored Pre-proline 0 CA--C 1.478 -1.792 0 C-N-CA 119.149 -1.02 . . . . 0.0 109.596 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.968 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -37.11 -41.45 0.76 Allowed 'Trans proline' 0 N--CA 1.417 -3.006 0 C-N-CA 121.901 1.734 . . . . 0.0 111.841 -178.444 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.838 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.35 -59.88 1.79 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.001 176.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.753 HD12 ' CD2' ' A' ' 7' ' ' TRP . 32.7 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.291 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 . . . . . 0 CA--C 1.508 -0.65 0 CA-C-O 121.38 0.61 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.658 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 11.3 p90 -164.51 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.482 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.559 ' N ' ' CG ' ' A' ' 4' ' ' PHE . . . -75.14 53.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.714 0.769 . . . . 0.0 110.908 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.838 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 18.9 p-90 -148.43 -45.42 0.15 Allowed 'General case' 0 CA--C 1.499 -1.007 0 CA-C-N 114.393 -1.276 . . . . 0.0 108.152 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.682 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 4.4 p-90 -68.92 -17.23 63.93 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.486 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 1.073 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.8 m95 -53.79 -58.95 11.0 Favored Pre-proline 0 CA--C 1.49 -1.352 0 C-N-CA 118.764 -1.174 . . . . 0.0 108.054 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.073 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 45.5 Cg_exo -45.05 -45.48 14.24 Favored 'Trans proline' 0 N--CA 1.429 -2.316 0 C-N-CA 122.355 2.036 . . . . 0.0 112.999 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.682 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -79.2 -61.8 1.9 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.018 179.131 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.669 HD12 ' CE3' ' A' ' 7' ' ' TRP . 13.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.352 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.674 0.273 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.754 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -151.59 -44.73 0.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.419 178.733 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.548 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -79.16 63.03 3.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.589 0.709 . . . . 0.0 110.615 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.887 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 15.8 p-90 -158.69 -44.64 0.06 Allowed 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.967 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.678 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 4.6 p-90 -67.24 -15.96 64.01 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.861 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 1.09 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.7 m95 -55.7 -60.24 9.15 Favored Pre-proline 0 CA--C 1.488 -1.42 0 C-N-CA 119.016 -1.074 . . . . 0.0 108.168 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.09 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 48.8 Cg_exo -45.08 -42.83 16.14 Favored 'Trans proline' 0 N--CA 1.425 -2.533 0 C-N-CA 121.968 1.779 . . . . 0.0 112.799 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.678 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -79.68 -63.72 1.35 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.62 0.724 . . . . 0.0 110.014 178.861 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 7' ' ' TRP . 12.3 mt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.436 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? . . . . . 0 C--O 1.232 0.162 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.572 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 5.1 p90 -153.61 -38.34 0.1 Allowed 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.753 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.32 53.84 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.404 0.621 . . . . 0.0 112.102 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.705 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 p-90 -144.25 -39.69 0.28 Allowed 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.474 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.857 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 4.6 p-90 -74.55 -18.65 60.56 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.859 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.949 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.3 m0 -53.17 -55.43 34.12 Favored Pre-proline 0 CA--C 1.477 -1.842 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.349 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.949 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.2 Cg_exo -37.63 -43.74 1.44 Allowed 'Trans proline' 0 N--CA 1.418 -2.95 0 C-N-CA 121.925 1.75 . . . . 0.0 111.375 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.828 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.92 -63.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.007 177.242 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.857 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 39.7 mt . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 3' ' ' ARG . 16.3 mmt180 . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.098 0.475 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.651 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 32.2 p90 -171.06 -39.54 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.331 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.97 49.19 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.498 0.666 . . . . 0.0 112.239 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.673 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 p-90 -141.8 -38.54 0.39 Allowed 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.851 ' CD2' HD12 ' A' ' 11' ' ' LEU . 3.7 p-90 -76.23 -16.75 59.76 Favored 'General case' 0 N--CA 1.424 -1.73 0 CA-C-N 113.885 -1.507 . . . . 0.0 111.406 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.841 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 8.1 m0 -56.2 -53.13 66.96 Favored Pre-proline 0 CA--C 1.481 -1.676 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.503 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.841 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 9.4 Cg_exo -38.99 -46.35 2.78 Favored 'Trans proline' 0 N--CA 1.416 -3.037 0 C-N-CA 121.35 1.366 . . . . 0.0 111.377 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.845 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -90.59 -61.26 1.71 Allowed 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.61 177.133 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.851 HD12 ' CD2' ' A' ' 7' ' ' TRP . 28.8 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.439 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.619 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 6.8 ppt_? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.636 0.255 . . . . 0.0 111.527 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.605 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.8 p90 -157.25 -36.68 0.07 Allowed 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.35 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.6 52.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.389 0.614 . . . . 0.0 111.918 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.684 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.7 p-90 -145.13 -38.51 0.26 Allowed 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.724 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.817 ' CD2' HD12 ' A' ' 11' ' ' LEU . 5.2 p-90 -75.45 -17.0 60.27 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.437 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.839 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.7 m0 -55.97 -53.64 60.95 Favored Pre-proline 0 CA--C 1.481 -1.689 0 C-N-CA 119.035 -1.066 . . . . 0.0 108.349 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.839 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 4.5 Cg_exo -37.85 -45.96 1.94 Allowed 'Trans proline' 0 N--CA 1.417 -3.008 0 C-N-CA 121.375 1.384 . . . . 0.0 111.193 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.804 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.12 -64.59 1.11 Allowed 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.421 176.779 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.817 HD12 ' CD2' ' A' ' 7' ' ' TRP . 24.8 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.285 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.554 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.637 0.256 . . . . 0.0 111.367 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.566 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.0 p90 -156.87 -37.5 0.08 Allowed 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 120.86 0.362 . . . . 0.0 111.196 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.12 56.44 3.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.517 0.675 . . . . 0.0 111.4 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.753 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.0 p-90 -148.4 -40.3 0.16 Allowed 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.34 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.751 ' CD2' HD12 ' A' ' 11' ' ' LEU . 4.8 p-90 -73.18 -18.3 61.28 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.053 -178.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.911 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m0 -52.32 -54.53 40.89 Favored Pre-proline 0 CA--C 1.485 -1.53 0 CA-C-O 122.222 1.011 . . . . 0.0 108.322 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.911 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 17.2 Cg_exo -41.07 -48.6 4.81 Favored 'Trans proline' 0 N--CA 1.42 -2.818 0 C-N-CA 121.655 1.57 . . . . 0.0 112.633 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.655 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -84.3 -56.05 3.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.489 0.662 . . . . 0.0 109.664 178.357 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.751 HD12 ' CD2' ' A' ' 7' ' ' TRP . 11.5 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.77 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.746 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.9 p90 -153.44 -39.36 0.1 Allowed 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.3 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.46 55.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 0.0 111.893 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.71 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.9 p-90 -147.4 -40.68 0.18 Allowed 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.919 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.2 p-90 -72.67 -16.75 61.69 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.12 -1.4 . . . . 0.0 111.659 -178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.956 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -58.79 -55.36 46.93 Favored Pre-proline 0 CA--C 1.485 -1.549 0 C-N-CA 118.926 -1.109 . . . . 0.0 109.469 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.956 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 22.9 Cg_exo -41.94 -43.56 7.0 Favored 'Trans proline' 0 N--CA 1.424 -2.578 0 C-N-CA 121.892 1.728 . . . . 0.0 112.159 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.919 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -92.27 -58.08 2.5 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.007 177.649 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.748 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.662 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.596 ' HD3' ' C ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.631 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 6.4 p90 -152.65 -38.57 0.11 Allowed 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.303 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -79.4 51.56 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.398 0.618 . . . . 0.0 112.163 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.685 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.6 p-90 -144.0 -38.56 0.3 Allowed 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.297 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.824 ' CD2' HD12 ' A' ' 11' ' ' LEU . 4.0 p-90 -75.44 -16.78 60.3 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.513 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.848 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.6 m0 -56.17 -53.36 64.47 Favored Pre-proline 0 CA--C 1.48 -1.728 0 C-N-CA 118.954 -1.098 . . . . 0.0 108.398 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.848 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 11.1 Cg_exo -38.86 -45.08 2.52 Favored 'Trans proline' 0 N--CA 1.417 -3.029 0 C-N-CA 121.301 1.334 . . . . 0.0 111.423 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.803 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.59 -61.64 1.6 Allowed 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.588 177.076 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.824 HD12 ' CD2' ' A' ' 7' ' ' TRP . 21.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.301 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.526 ' HD3' ' C ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.62 0.248 . . . . 0.0 111.306 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.669 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -152.99 -38.11 0.1 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.032 178.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.21 59.26 3.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.346 0.593 . . . . 0.0 111.51 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.802 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.6 p-90 -152.56 -41.88 0.1 Allowed 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 115.146 -0.933 . . . . 0.0 108.581 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.757 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 4.3 p-90 -71.13 -17.24 62.57 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.284 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.997 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.6 m0 -53.59 -56.25 26.85 Favored Pre-proline 0 CA--C 1.489 -1.373 0 CA-C-O 122.033 0.921 . . . . 0.0 108.831 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.997 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 33.5 Cg_exo -43.8 -48.43 8.99 Favored 'Trans proline' 0 N--CA 1.426 -2.466 0 C-N-CA 122.184 1.923 . . . . 0.0 112.814 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.669 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -82.11 -57.85 3.21 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.501 0.667 . . . . 0.0 110.246 178.798 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.757 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 13.6 mt . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.134 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.02 0.438 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.671 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 22.8 p90 -168.78 -41.58 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.986 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 4' ' ' PHE . . . -77.1 49.69 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.703 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.0 p-90 -141.48 -39.56 0.39 Allowed 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.854 ' CD2' HD12 ' A' ' 11' ' ' LEU . 3.0 p-90 -74.7 -18.65 60.48 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.768 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.95 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.8 m0 -53.21 -55.37 34.76 Favored Pre-proline 0 CA--C 1.479 -1.765 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.205 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.95 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.1 Cg_exo -37.64 -43.39 1.38 Allowed 'Trans proline' 0 N--CA 1.42 -2.848 0 C-N-CA 121.99 1.793 . . . . 0.0 111.292 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.835 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.63 -65.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.973 177.275 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.854 HD12 ' CD2' ' A' ' 7' ' ' TRP . 36.6 mt . . . . . 0 C--N 1.33 -0.249 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.526 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.4 ppt_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.667 0.27 . . . . 0.0 111.475 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.662 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -154.09 -40.84 0.09 Allowed 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.093 178.797 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.19 59.83 4.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.39 0.614 . . . . 0.0 111.786 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.718 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.3 p-90 -153.2 -39.94 0.1 Allowed 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.122 -0.944 . . . . 0.0 108.615 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.788 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 3.3 p-90 -72.57 -17.94 61.66 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.434 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.958 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 9.9 m0 -54.99 -56.97 22.01 Favored Pre-proline 0 CA--C 1.478 -1.788 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.638 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.958 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -36.16 -41.18 0.5 Allowed 'Trans proline' 0 N--CA 1.419 -2.891 0 C-N-CA 121.997 1.798 . . . . 0.0 111.564 -178.516 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.788 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.52 -60.09 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.73 176.68 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.788 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . 33.7 mt . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 4.1 p . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.545 HH12 ' HE ' ' A' ' 3' ' ' ARG . 56.9 ttt-85 -66.63 -75.88 0.09 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.658 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 6.4 ppt_? -176.31 16.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.97 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 11.7 p90 -156.13 -37.64 0.08 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.451 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.75 49.22 0.74 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.427 0.632 . . . . 0.0 112.356 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.676 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.5 p-90 -140.32 -39.66 0.43 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.874 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 4.7 p-90 -74.98 -18.82 60.32 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.216 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.926 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.4 m0 -53.77 -54.41 46.74 Favored Pre-proline 0 CA--C 1.478 -1.823 0 C-N-CA 119.376 -0.929 . . . . 0.0 109.167 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.926 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.4 Cg_exo -37.41 -44.89 1.5 Allowed 'Trans proline' 0 N--CA 1.418 -2.932 0 C-N-CA 121.866 1.71 . . . . 0.0 111.397 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.81 -62.67 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.894 177.197 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.874 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 33.3 mt -50.23 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.803 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -46.14 -41.54 12.61 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.039 -177.459 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.637 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 37.7 ttt85 -67.17 -71.21 0.21 Allowed 'General case' 0 C--O 1.25 1.087 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 118.779 -2.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.691 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.9 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.86 0.362 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.872 ' HG3' ' HG3' ' A' ' 3' ' ' ARG . 12.3 tpp85 -65.91 -79.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.872 ' HG3' ' HG3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.27 24.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.27 178.416 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.72 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -151.69 -41.72 0.11 Allowed 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.265 179.017 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.59 59.05 3.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.339 0.59 . . . . 0.0 111.818 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.72 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 p-90 -151.27 -40.34 0.12 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.669 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.888 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.0 p-90 -73.0 -16.5 61.51 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.459 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.988 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.6 m0 -58.22 -56.17 37.85 Favored Pre-proline 0 CA--C 1.485 -1.521 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.103 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.988 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 18.1 Cg_exo -41.47 -41.34 5.3 Favored 'Trans proline' 0 N--CA 1.426 -2.499 0 C-N-CA 122.15 1.9 . . . . 0.0 112.162 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -96.48 -61.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.074 177.827 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.751 HD12 ' CD2' ' A' ' 7' ' ' TRP . 17.9 mt -42.97 -58.09 2.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.295 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.622 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 48.9 mtp85 -69.1 -57.95 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.242 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.627 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 48.6 ttp85 -64.45 -78.6 0.05 OUTLIER 'General case' 0 C--O 1.249 1.056 0 CA-C-O 118.112 -0.946 . . . . 0.0 110.939 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 1 O-C-N 114.247 -5.283 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.677 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.8 p . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.83 0.348 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -79.71 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.532 ' HD3' ' O ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -176.23 23.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.508 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.766 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.8 p90 -157.51 -38.14 0.07 Allowed 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.117 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.49 53.96 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.295 0.569 . . . . 0.0 111.936 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.72 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.8 p-90 -145.72 -40.77 0.22 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.692 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.89 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.6 p-90 -72.48 -17.88 61.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.667 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.949 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.7 m0 -57.79 -55.74 41.82 Favored Pre-proline 0 CA--C 1.486 -1.507 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.18 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.949 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 24.4 Cg_exo -42.13 -41.69 7.03 Favored 'Trans proline' 0 N--CA 1.424 -2.575 0 C-N-CA 122.108 1.872 . . . . 0.0 112.277 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.89 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.09 -61.18 1.53 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.62 177.684 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.723 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 17.5 mt -43.94 -57.85 3.09 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.865 -178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.589 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 67.6 mtt-85 -75.93 -67.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.811 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.663 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 72.3 mtt-85 -67.68 -69.62 0.31 Allowed 'General case' 0 C--O 1.25 1.085 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.936 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 1 O-C-N 85.392 -23.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.4 p . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.781 0.324 . . . . 0.0 111.476 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.47 -66.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.83 24.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.71 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.609 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.4 p90 -153.86 -38.19 0.1 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.547 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -81.03 56.14 2.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.549 0.69 . . . . 0.0 111.601 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.69 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -148.03 -38.85 0.18 Allowed 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.384 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.839 ' CD2' HD12 ' A' ' 11' ' ' LEU . 4.5 p-90 -75.64 -16.21 60.24 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 113.934 -1.484 . . . . 0.0 111.372 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.871 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.8 m0 -56.35 -53.58 62.43 Favored Pre-proline 0 CA--C 1.481 -1.679 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.388 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.871 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 8.9 Cg_exo -38.93 -45.26 2.6 Favored 'Trans proline' 0 N--CA 1.416 -3.064 0 C-N-CA 121.271 1.314 . . . . 0.0 111.557 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.832 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.74 -60.46 1.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.673 177.2 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.839 HD12 ' CD2' ' A' ' 7' ' ' TRP . 25.2 mt -51.6 -56.15 15.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.168 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.724 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 17.4 mtp85 -74.89 -10.09 59.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.23 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 79.5 ttt180 -41.54 96.59 0.01 OUTLIER 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.39 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 118.647 0.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 6' ' ' TRP . 3.5 p . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.838 0.352 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.68 ' HD3' ' HG3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.27 -71.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.68 ' HG3' ' HD3' ' A' ' 2' ' ' ARG . 7.1 ppt_? -176.1 22.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.565 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.599 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.8 p90 -155.43 -38.79 0.09 Allowed 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.933 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.77 55.78 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.458 0.647 . . . . 0.0 112.026 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.711 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -146.85 -40.13 0.2 Allowed 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.372 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.872 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 3.8 p-90 -74.19 -17.56 60.88 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-N 113.637 -1.619 . . . . 0.0 110.857 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.924 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m0 -54.33 -55.66 34.75 Favored Pre-proline 0 CA--C 1.479 -1.774 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.472 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.924 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.3 Cg_exo -37.9 -43.82 1.63 Allowed 'Trans proline' 0 N--CA 1.419 -2.895 0 C-N-CA 121.955 1.77 . . . . 0.0 111.458 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.848 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.25 -63.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.838 177.266 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.872 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 39.4 mt -50.65 -78.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.794 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 1.5 ptt180 -47.08 -40.94 16.22 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.986 -177.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.68 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 79.4 ttt180 -66.4 -71.52 0.19 Allowed 'General case' 0 C--O 1.25 1.093 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 119.127 0.876 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 6' ' ' TRP . 3.2 m . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 -49.09 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.34 26.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.218 178.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.73 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.9 p90 -152.31 -39.67 0.11 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.248 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.48 56.75 2.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.388 0.613 . . . . 0.0 111.966 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.807 ' HB3' HG21 ' A' ' 1' ' ' VAL . 2.2 p-90 -150.02 -39.66 0.14 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.481 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.902 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.7 p-90 -73.15 -15.67 61.46 Favored 'General case' 0 CA--C 1.485 -1.523 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.315 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.953 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -59.59 -55.74 42.85 Favored Pre-proline 0 CA--C 1.486 -1.512 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.23 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.953 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 18.5 Cg_exo -41.68 -43.04 6.35 Favored 'Trans proline' 0 N--CA 1.425 -2.528 0 C-N-CA 121.925 1.75 . . . . 0.0 112.191 -178.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.902 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -93.02 -56.89 2.81 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.062 177.766 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.704 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt -49.56 -55.62 12.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.595 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.575 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 38.3 mtp85 -87.34 13.2 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.936 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -49.82 101.32 0.03 OUTLIER 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.978 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 119.093 0.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 6' ' ' TRP . 3.0 p . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.611 ' HD2' ' HG3' ' A' ' 3' ' ' ARG . 1.6 tmt_? -78.0 -65.08 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.611 ' HG3' ' HD2' ' A' ' 2' ' ' ARG . 7.2 ppt_? -176.24 23.1 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.309 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.785 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.6 p90 -155.65 -38.67 0.08 Allowed 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.254 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 54.03 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.31 0.576 . . . . 0.0 112.121 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.701 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.5 p-90 -146.19 -40.28 0.22 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.901 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.3 p-90 -72.85 -16.5 61.59 Favored 'General case' 0 CA--C 1.486 -1.485 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.549 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.965 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -59.38 -55.68 43.62 Favored Pre-proline 0 CA--C 1.486 -1.503 0 C-N-CA 118.823 -1.151 . . . . 0.0 109.231 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.965 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 19.5 Cg_exo -41.5 -42.89 5.87 Favored 'Trans proline' 0 N--CA 1.424 -2.563 0 C-N-CA 121.922 1.748 . . . . 0.0 112.235 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.901 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -93.66 -57.28 2.62 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.916 177.651 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.698 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt -48.45 -55.75 10.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.361 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.557 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 39.8 mtp85 -88.97 14.36 10.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.751 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 29.7 tpt180 -55.88 93.04 0.01 OUTLIER 'General case' 0 C--O 1.249 1.055 0 CA-C-O 118.03 -0.986 . . . . 0.0 111.026 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 1 O-C-N 103.559 -11.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.661 HG11 ' HB3' ' A' ' 6' ' ' TRP . 94.3 t . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.638 0.256 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.483 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 75.4 ttt180 -72.83 -66.67 0.64 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.521 ' HD3' ' C ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -176.63 25.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.183 179.459 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.745 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.1 p90 -151.82 -40.85 0.11 Allowed 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.179 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.08 58.79 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.399 0.619 . . . . 0.0 111.911 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.711 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.5 p-90 -151.59 -41.6 0.11 Allowed 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.902 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.2 p-90 -71.93 -15.83 62.1 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.369 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.984 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.7 m0 -59.26 -56.91 31.2 Favored Pre-proline 0 CA--C 1.482 -1.663 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.27 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.984 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 24.1 Cg_exo -41.73 -42.42 6.28 Favored 'Trans proline' 0 N--CA 1.421 -2.736 0 C-N-CA 121.662 1.575 . . . . 0.0 112.058 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.902 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.5 -63.86 1.13 Allowed 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.243 177.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.782 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 16.9 mt -40.79 -53.03 2.93 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.314 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.57 ' HD2' ' CE3' ' A' ' 8' ' ' TRP . 37.6 mtp85 -67.52 -68.6 0.37 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.598 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 99.3 mtt180 -69.64 -74.53 0.13 Allowed 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.058 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 1 O-C-N 101.324 -13.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.516 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 3.3 p . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.349 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.438 HH11 ' HG3' ' A' ' 3' ' ' ARG . 47.5 ttt-85 -70.75 -75.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.553 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.4 ppt_? -176.16 22.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.453 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.709 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.1 p90 -156.13 -38.23 0.08 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.966 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.38 54.9 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.429 0.633 . . . . 0.0 111.888 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.712 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.3 p-90 -147.7 -40.85 0.17 Allowed 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.838 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.3 p-90 -72.07 -19.52 61.81 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.643 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.072 ' HB3' ' HD2' ' A' ' 12' ' ' ARG . 10.6 m95 -54.45 -57.17 19.89 Favored Pre-proline 0 CA--C 1.478 -1.792 0 C-N-CA 119.149 -1.02 . . . . 0.0 109.596 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.968 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -37.11 -41.45 0.76 Allowed 'Trans proline' 0 N--CA 1.417 -3.006 0 C-N-CA 121.901 1.734 . . . . 0.0 111.841 -178.444 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.838 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.35 -59.88 1.79 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.001 176.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.753 HD12 ' CD2' ' A' ' 7' ' ' TRP . 32.7 mt -53.61 -65.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.291 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 1.072 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -74.9 5.02 5.53 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.929 -178.606 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 5.8 tmm_? -50.1 95.22 0.01 OUTLIER 'General case' 0 C--O 1.249 1.059 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.814 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 1 O-C-N 109.442 -8.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.803 HG23 ' HB3' ' A' ' 6' ' ' TRP . 2.4 p . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.971 0.415 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' A' ' 2' ' ' ARG . 40.9 mmt-85 -70.12 -125.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.206 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -144.56 21.35 1.67 Allowed 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.38 0.61 . . . . 0.0 109.913 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.658 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 11.3 p90 -164.51 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.482 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.559 ' N ' ' CG ' ' A' ' 4' ' ' PHE . . . -75.14 53.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.714 0.769 . . . . 0.0 110.908 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.838 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 18.9 p-90 -148.43 -45.42 0.15 Allowed 'General case' 0 CA--C 1.499 -1.007 0 CA-C-N 114.393 -1.276 . . . . 0.0 108.152 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.682 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 4.4 p-90 -68.92 -17.23 63.93 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.486 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.073 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.8 m95 -53.79 -58.95 11.0 Favored Pre-proline 0 CA--C 1.49 -1.352 0 C-N-CA 118.764 -1.174 . . . . 0.0 108.054 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.073 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 45.5 Cg_exo -45.05 -45.48 14.24 Favored 'Trans proline' 0 N--CA 1.429 -2.316 0 C-N-CA 122.355 2.036 . . . . 0.0 112.999 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.682 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -79.2 -61.8 1.9 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.018 179.131 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.669 HD12 ' CE3' ' A' ' 7' ' ' TRP . 13.6 mt -55.94 -67.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.352 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.616 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 64.3 mtt-85 -66.5 -64.59 0.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.99 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.622 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 58.8 ttt-85 -70.9 2.96 3.67 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-O 118.012 -0.994 . . . . 0.0 111.169 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 1 O-C-N 99.371 -14.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.726 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 2.6 p . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -62.6 -82.41 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.11 25.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.303 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.754 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -151.59 -44.73 0.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.419 178.733 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.548 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -79.16 63.03 3.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.589 0.709 . . . . 0.0 110.615 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.887 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 15.8 p-90 -158.69 -44.64 0.06 Allowed 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.967 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.678 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 4.6 p-90 -67.24 -15.96 64.01 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.861 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.09 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.7 m95 -55.7 -60.24 9.15 Favored Pre-proline 0 CA--C 1.488 -1.42 0 C-N-CA 119.016 -1.074 . . . . 0.0 108.168 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.09 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 48.8 Cg_exo -45.08 -42.83 16.14 Favored 'Trans proline' 0 N--CA 1.425 -2.533 0 C-N-CA 121.968 1.779 . . . . 0.0 112.799 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.678 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -79.68 -63.72 1.35 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.62 0.724 . . . . 0.0 110.014 178.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 7' ' ' TRP . 12.3 mt -56.16 -65.77 0.55 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.436 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.623 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 70.4 mtt-85 -65.81 -67.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 4.4 tmm_? -65.01 -42.79 94.14 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 118.012 -0.995 . . . . 0.0 110.525 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 1 O-C-N 109.143 -8.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.635 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.9 m . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.436 0.16 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.794 ' HD3' ' HG3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -54.75 -69.86 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.082 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.794 ' HG3' ' HD3' ' A' ' 2' ' ' ARG . 6.2 ppt_? -176.96 24.56 0.0 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.863 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.572 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 5.1 p90 -153.61 -38.34 0.1 Allowed 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.753 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.32 53.84 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.404 0.621 . . . . 0.0 112.102 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.705 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 p-90 -144.25 -39.69 0.28 Allowed 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.474 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.857 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 4.6 p-90 -74.55 -18.65 60.56 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.859 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.949 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.3 m0 -53.17 -55.43 34.12 Favored Pre-proline 0 CA--C 1.477 -1.842 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.349 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.949 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.2 Cg_exo -37.63 -43.74 1.44 Allowed 'Trans proline' 0 N--CA 1.418 -2.95 0 C-N-CA 121.925 1.75 . . . . 0.0 111.375 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.828 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.92 -63.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.007 177.242 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.857 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 39.7 mt -49.74 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.813 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -52.38 -43.95 65.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.362 -177.32 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.724 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 46.8 ttm-85 -68.89 -75.94 0.1 Allowed 'General case' 0 C--O 1.25 1.091 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.011 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 120.73 -1.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.566 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 2.5 p . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.861 0.362 . . . . 0.0 111.626 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' A' ' 2' ' ' ARG . 28.9 tpt85 -68.92 -116.13 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 3' ' ' ARG . 16.3 mmt180 -147.43 30.18 0.93 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.098 0.475 . . . . 0.0 110.289 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.651 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 32.2 p90 -171.06 -39.54 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.331 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.97 49.19 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.498 0.666 . . . . 0.0 112.239 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.673 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 p-90 -141.8 -38.54 0.39 Allowed 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.851 ' CD2' HD12 ' A' ' 11' ' ' LEU . 3.7 p-90 -76.23 -16.75 59.76 Favored 'General case' 0 N--CA 1.424 -1.73 0 CA-C-N 113.885 -1.507 . . . . 0.0 111.406 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.841 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 8.1 m0 -56.2 -53.13 66.96 Favored Pre-proline 0 CA--C 1.481 -1.676 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.503 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.841 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 9.4 Cg_exo -38.99 -46.35 2.78 Favored 'Trans proline' 0 N--CA 1.416 -3.037 0 C-N-CA 121.35 1.366 . . . . 0.0 111.377 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.845 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -90.59 -61.26 1.71 Allowed 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.61 177.133 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.851 HD12 ' CD2' ' A' ' 7' ' ' TRP . 28.8 mt -50.92 -56.25 13.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.439 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.719 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 33.5 mtp180 -75.05 -9.09 58.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.42 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 39.5 ttm180 -41.43 96.06 0.01 OUTLIER 'General case' 0 C--O 1.249 1.066 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.359 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 119.024 -2.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.7 p . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.803 0.335 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.419 HH11 ' HG3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -76.22 -64.74 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.762 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.619 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 6.8 ppt_? -176.27 23.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.605 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.8 p90 -157.25 -36.68 0.07 Allowed 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.35 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.6 52.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.389 0.614 . . . . 0.0 111.918 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.684 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.7 p-90 -145.13 -38.51 0.26 Allowed 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.724 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.817 ' CD2' HD12 ' A' ' 11' ' ' LEU . 5.2 p-90 -75.45 -17.0 60.27 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.437 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.839 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.7 m0 -55.97 -53.64 60.95 Favored Pre-proline 0 CA--C 1.481 -1.689 0 C-N-CA 119.035 -1.066 . . . . 0.0 108.349 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.839 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 4.5 Cg_exo -37.85 -45.96 1.94 Allowed 'Trans proline' 0 N--CA 1.417 -3.008 0 C-N-CA 121.375 1.384 . . . . 0.0 111.193 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.804 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.12 -64.59 1.11 Allowed 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.421 176.779 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.817 HD12 ' CD2' ' A' ' 7' ' ' TRP . 24.8 mt -47.29 -55.25 9.07 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.285 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.669 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 8.8 mtp85 -78.03 36.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.682 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' PHE . 33.3 tpt85 -53.43 99.92 0.03 OUTLIER 'General case' 0 C--O 1.249 1.045 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 112.368 -6.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.706 HG21 ' HB3' ' A' ' 6' ' ' TRP . 3.3 p . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.389 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.579 ' HD2' ' HG3' ' A' ' 3' ' ' ARG . 1.3 tmt_? -77.73 -66.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.579 ' HG3' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -176.59 25.44 0.0 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.367 178.408 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.0 p90 -156.87 -37.5 0.08 Allowed 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 120.86 0.362 . . . . 0.0 111.196 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.12 56.44 3.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.517 0.675 . . . . 0.0 111.4 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.753 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.0 p-90 -148.4 -40.3 0.16 Allowed 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.34 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.77 ' HZ3' ' HG3' ' A' ' 12' ' ' ARG . 4.8 p-90 -73.18 -18.3 61.28 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.053 -178.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.911 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m0 -52.32 -54.53 40.89 Favored Pre-proline 0 CA--C 1.485 -1.53 0 CA-C-O 122.222 1.011 . . . . 0.0 108.322 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.911 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 17.2 Cg_exo -41.07 -48.6 4.81 Favored 'Trans proline' 0 N--CA 1.42 -2.818 0 C-N-CA 121.655 1.57 . . . . 0.0 112.633 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.655 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -84.3 -56.05 3.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.489 0.662 . . . . 0.0 109.664 178.357 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.751 HD12 ' CD2' ' A' ' 7' ' ' TRP . 11.5 mt -59.41 -63.6 1.24 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.77 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.77 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 50.5 mtt-85 -68.98 -3.6 13.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.143 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 60.2 ttp180 -42.45 97.64 0.01 OUTLIER 'General case' 0 C--O 1.248 1.02 0 CA-C-O 118.077 -0.964 . . . . 0.0 111.374 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 O-C-N 120.508 -1.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 6' ' ' TRP . 7.3 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.777 0.322 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.1 mtt85 -60.08 -75.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.29 22.49 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.939 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.746 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.9 p90 -153.44 -39.36 0.1 Allowed 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.3 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.46 55.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 0.0 111.893 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.71 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.9 p-90 -147.4 -40.68 0.18 Allowed 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.919 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.2 p-90 -72.67 -16.75 61.69 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.12 -1.4 . . . . 0.0 111.659 -178.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.956 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -58.79 -55.36 46.93 Favored Pre-proline 0 CA--C 1.485 -1.549 0 C-N-CA 118.926 -1.109 . . . . 0.0 109.469 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.956 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 22.9 Cg_exo -41.94 -43.56 7.0 Favored 'Trans proline' 0 N--CA 1.424 -2.578 0 C-N-CA 121.892 1.728 . . . . 0.0 112.159 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.919 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -92.27 -58.08 2.5 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.007 177.649 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.748 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt -48.41 -55.42 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.662 -178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.581 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 36.5 mtp85 -87.95 15.7 6.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.134 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 3.5 tmt_? -49.16 100.7 0.02 OUTLIER 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.507 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 O-C-N 118.807 -2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.739 HG21 ' HB3' ' A' ' 6' ' ' TRP . 3.2 m . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.454 0.169 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.727 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 40.6 ttt85 -54.62 -68.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.727 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -176.38 23.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.415 179.48 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.631 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 6.4 p90 -152.65 -38.57 0.11 Allowed 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.303 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -79.4 51.56 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.398 0.618 . . . . 0.0 112.163 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.739 ' HB3' HG21 ' A' ' 1' ' ' VAL . 1.6 p-90 -144.0 -38.56 0.3 Allowed 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.297 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.824 ' CD2' HD12 ' A' ' 11' ' ' LEU . 4.0 p-90 -75.44 -16.78 60.3 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.513 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.848 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.6 m0 -56.17 -53.36 64.47 Favored Pre-proline 0 CA--C 1.48 -1.728 0 C-N-CA 118.954 -1.098 . . . . 0.0 108.398 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.848 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 11.1 Cg_exo -38.86 -45.08 2.52 Favored 'Trans proline' 0 N--CA 1.417 -3.029 0 C-N-CA 121.301 1.334 . . . . 0.0 111.423 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.803 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.59 -61.64 1.6 Allowed 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.588 177.076 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.824 HD12 ' CD2' ' A' ' 7' ' ' TRP . 21.7 mt -50.65 -55.89 14.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.301 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.746 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 19.1 mtp85 -76.27 -7.77 55.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.409 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -44.17 96.72 0.01 OUTLIER 'General case' 0 C--O 1.249 1.054 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.818 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 O-C-N 120.062 -1.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.853 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.9 p . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.886 0.374 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.676 ' HD2' ' HG3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -78.6 -63.61 1.37 Allowed 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.676 ' HG3' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.98 24.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.306 179.1 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.669 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -152.99 -38.11 0.1 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.032 178.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.21 59.26 3.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.346 0.593 . . . . 0.0 111.51 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.853 ' HB3' HG21 ' A' ' 1' ' ' VAL . 1.6 p-90 -152.56 -41.88 0.1 Allowed 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 115.146 -0.933 . . . . 0.0 108.581 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.757 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 4.3 p-90 -71.13 -17.24 62.57 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.284 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.997 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.6 m0 -53.59 -56.25 26.85 Favored Pre-proline 0 CA--C 1.489 -1.373 0 CA-C-O 122.033 0.921 . . . . 0.0 108.831 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.997 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 33.5 Cg_exo -43.8 -48.43 8.99 Favored 'Trans proline' 0 N--CA 1.426 -2.466 0 C-N-CA 122.184 1.923 . . . . 0.0 112.814 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.669 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -82.11 -57.85 3.21 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.501 0.667 . . . . 0.0 110.246 178.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.757 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 13.6 mt -53.49 -61.76 2.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.134 -178.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.621 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 87.8 mtt180 -78.85 7.82 6.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.986 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 37.0 tpt85 -47.52 101.54 0.03 OUTLIER 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.039 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 115.855 -4.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.892 HG21 ' HB3' ' A' ' 6' ' ' TRP . 4.2 m . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.561 ' HG3' ' H ' ' A' ' 3' ' ' ARG . 22.3 tpp180 -76.23 -120.39 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.561 ' H ' ' HG3' ' A' ' 2' ' ' ARG . 12.3 mmt85 -140.47 29.77 1.95 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.02 0.438 . . . . 0.0 110.24 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.671 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 22.8 p90 -168.78 -41.58 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.986 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 4' ' ' PHE . . . -77.1 49.69 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.892 ' HB3' HG21 ' A' ' 1' ' ' VAL . 2.0 p-90 -141.48 -39.56 0.39 Allowed 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.854 ' CD2' HD12 ' A' ' 11' ' ' LEU . 3.0 p-90 -74.7 -18.65 60.48 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.768 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.95 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.8 m0 -53.21 -55.37 34.76 Favored Pre-proline 0 CA--C 1.479 -1.765 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.205 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.95 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.1 Cg_exo -37.64 -43.39 1.38 Allowed 'Trans proline' 0 N--CA 1.42 -2.848 0 C-N-CA 121.99 1.793 . . . . 0.0 111.292 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.835 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.63 -65.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.973 177.275 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.854 HD12 ' CD2' ' A' ' 7' ' ' TRP . 36.6 mt -48.35 -75.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.81 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 1.1 ptt180 -51.04 -42.3 60.4 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.144 -177.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.676 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 40.3 ttm180 -67.31 -81.33 0.03 OUTLIER 'General case' 0 C--O 1.249 1.027 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.857 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 1 O-C-N 112.285 -6.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.73 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.7 p . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.848 0.356 . . . . 0.0 111.347 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -73.84 -72.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.526 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.4 ppt_? -176.23 26.25 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.475 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.662 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -154.09 -40.84 0.09 Allowed 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.093 178.797 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.19 59.83 4.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.39 0.614 . . . . 0.0 111.786 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.73 ' HB3' HG21 ' A' ' 1' ' ' VAL . 2.3 p-90 -153.2 -39.94 0.1 Allowed 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.122 -0.944 . . . . 0.0 108.615 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.788 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 3.3 p-90 -72.57 -17.94 61.66 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.434 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 1.048 ' HB3' ' HD2' ' A' ' 12' ' ' ARG . 9.9 m0 -54.99 -56.97 22.01 Favored Pre-proline 0 CA--C 1.478 -1.788 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.638 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.958 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -36.16 -41.18 0.5 Allowed 'Trans proline' 0 N--CA 1.419 -2.891 0 C-N-CA 121.997 1.798 . . . . 0.0 111.564 -178.516 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.788 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.52 -60.09 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.73 176.68 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.788 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . 33.7 mt -54.82 -80.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 1.048 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -51.4 -32.18 25.4 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -177.635 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.774 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 79.0 ttt180 -72.12 -71.67 0.27 Allowed 'General case' 0 C--O 1.248 1.004 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 O-C-N 119.224 -2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.658 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 6.4 ppt_? . . . . . 0 C--O 1.232 0.139 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 11.7 p90 -156.13 -37.64 0.08 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.451 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.75 49.22 0.74 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.427 0.632 . . . . 0.0 112.356 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.676 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.5 p-90 -140.32 -39.66 0.43 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.874 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 4.7 p-90 -74.98 -18.82 60.32 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.216 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.926 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.4 m0 -53.77 -54.41 46.74 Favored Pre-proline 0 CA--C 1.478 -1.823 0 C-N-CA 119.376 -0.929 . . . . 0.0 109.167 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.926 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.4 Cg_exo -37.41 -44.89 1.5 Allowed 'Trans proline' 0 N--CA 1.418 -2.932 0 C-N-CA 121.866 1.71 . . . . 0.0 111.397 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.81 -62.67 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.894 177.197 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.874 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 33.3 mt . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.598 0.237 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.72 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -151.69 -41.72 0.11 Allowed 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.265 179.017 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.59 59.05 3.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.339 0.59 . . . . 0.0 111.818 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.72 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 p-90 -151.27 -40.34 0.12 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.669 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.888 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.0 p-90 -73.0 -16.5 61.51 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.459 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.988 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.6 m0 -58.22 -56.17 37.85 Favored Pre-proline 0 CA--C 1.485 -1.521 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.103 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.988 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 18.1 Cg_exo -41.47 -41.34 5.3 Favored 'Trans proline' 0 N--CA 1.426 -2.499 0 C-N-CA 122.15 1.9 . . . . 0.0 112.162 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -96.48 -61.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.074 177.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.751 HD12 ' CD2' ' A' ' 7' ' ' TRP . 17.9 mt . . . . . 0 C--N 1.333 -0.117 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.295 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.532 ' HD3' ' O ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.766 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.8 p90 -157.51 -38.14 0.07 Allowed 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.117 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.49 53.96 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.295 0.569 . . . . 0.0 111.936 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.72 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.8 p-90 -145.72 -40.77 0.22 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.692 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.89 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.6 p-90 -72.48 -17.88 61.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.667 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.949 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.7 m0 -57.79 -55.74 41.82 Favored Pre-proline 0 CA--C 1.486 -1.507 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.18 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.949 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 24.4 Cg_exo -42.13 -41.69 7.03 Favored 'Trans proline' 0 N--CA 1.424 -2.575 0 C-N-CA 122.108 1.872 . . . . 0.0 112.277 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.89 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.09 -61.18 1.53 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.62 177.684 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.723 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 17.5 mt . . . . . 0 N--CA 1.456 -0.148 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.865 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.609 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.4 p90 -153.86 -38.19 0.1 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.547 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -81.03 56.14 2.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.549 0.69 . . . . 0.0 111.601 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.69 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -148.03 -38.85 0.18 Allowed 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.384 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.839 ' CD2' HD12 ' A' ' 11' ' ' LEU . 4.5 p-90 -75.64 -16.21 60.24 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 113.934 -1.484 . . . . 0.0 111.372 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.871 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.8 m0 -56.35 -53.58 62.43 Favored Pre-proline 0 CA--C 1.481 -1.679 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.388 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.871 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 8.9 Cg_exo -38.93 -45.26 2.6 Favored 'Trans proline' 0 N--CA 1.416 -3.064 0 C-N-CA 121.271 1.314 . . . . 0.0 111.557 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.832 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.74 -60.46 1.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.673 177.2 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.839 HD12 ' CD2' ' A' ' 7' ' ' TRP . 25.2 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.168 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.568 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.1 ppt_? . . . . . 0 C--O 1.232 0.162 0 N-CA-C 111.565 0.209 . . . . 0.0 111.565 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.599 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.8 p90 -155.43 -38.79 0.09 Allowed 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.933 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.77 55.78 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.458 0.647 . . . . 0.0 112.026 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.711 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -146.85 -40.13 0.2 Allowed 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.372 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.872 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 3.8 p-90 -74.19 -17.56 60.88 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-N 113.637 -1.619 . . . . 0.0 110.857 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.924 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m0 -54.33 -55.66 34.75 Favored Pre-proline 0 CA--C 1.479 -1.774 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.472 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.924 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.3 Cg_exo -37.9 -43.82 1.63 Allowed 'Trans proline' 0 N--CA 1.419 -2.895 0 C-N-CA 121.955 1.77 . . . . 0.0 111.458 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.848 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.25 -63.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.838 177.266 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.872 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 39.4 mt . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.661 0.267 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.73 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.9 p90 -152.31 -39.67 0.11 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.248 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.48 56.75 2.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.388 0.613 . . . . 0.0 111.966 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.719 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -150.02 -39.66 0.14 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.481 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.902 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.7 p-90 -73.15 -15.67 61.46 Favored 'General case' 0 CA--C 1.485 -1.523 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.315 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.953 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -59.59 -55.74 42.85 Favored Pre-proline 0 CA--C 1.486 -1.512 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.23 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.953 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 18.5 Cg_exo -41.68 -43.04 6.35 Favored 'Trans proline' 0 N--CA 1.425 -2.528 0 C-N-CA 121.925 1.75 . . . . 0.0 112.191 -178.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.902 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -93.02 -56.89 2.81 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.062 177.766 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.704 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.595 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.608 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.2 ppt_? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.636 0.255 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.785 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.6 p90 -155.65 -38.67 0.08 Allowed 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.254 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 54.03 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.31 0.576 . . . . 0.0 112.121 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.701 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.5 p-90 -146.19 -40.28 0.22 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.901 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.3 p-90 -72.85 -16.5 61.59 Favored 'General case' 0 CA--C 1.486 -1.485 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.549 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.965 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -59.38 -55.68 43.62 Favored Pre-proline 0 CA--C 1.486 -1.503 0 C-N-CA 118.823 -1.151 . . . . 0.0 109.231 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.965 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 19.5 Cg_exo -41.5 -42.89 5.87 Favored 'Trans proline' 0 N--CA 1.424 -2.563 0 C-N-CA 121.922 1.748 . . . . 0.0 112.235 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.901 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -93.66 -57.28 2.62 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.916 177.651 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.698 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.361 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.521 ' HD3' ' C ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.528 0.204 . . . . 0.0 111.183 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.745 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.1 p90 -151.82 -40.85 0.11 Allowed 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.179 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.08 58.79 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.399 0.619 . . . . 0.0 111.911 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.711 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.5 p-90 -151.59 -41.6 0.11 Allowed 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.902 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.2 p-90 -71.93 -15.83 62.1 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.369 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.984 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.7 m0 -59.26 -56.91 31.2 Favored Pre-proline 0 CA--C 1.482 -1.663 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.27 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.984 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 24.1 Cg_exo -41.73 -42.42 6.28 Favored 'Trans proline' 0 N--CA 1.421 -2.736 0 C-N-CA 121.662 1.575 . . . . 0.0 112.058 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.902 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.5 -63.86 1.13 Allowed 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.243 177.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.782 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 16.9 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.314 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.553 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.4 ppt_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.575 0.226 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.709 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.1 p90 -156.13 -38.23 0.08 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.966 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.38 54.9 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.429 0.633 . . . . 0.0 111.888 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.712 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.3 p-90 -147.7 -40.85 0.17 Allowed 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.838 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.3 p-90 -72.07 -19.52 61.81 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.643 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.968 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.6 m95 -54.45 -57.17 19.89 Favored Pre-proline 0 CA--C 1.478 -1.792 0 C-N-CA 119.149 -1.02 . . . . 0.0 109.596 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.968 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -37.11 -41.45 0.76 Allowed 'Trans proline' 0 N--CA 1.417 -3.006 0 C-N-CA 121.901 1.734 . . . . 0.0 111.841 -178.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.838 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.35 -59.88 1.79 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.001 176.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.753 HD12 ' CD2' ' A' ' 7' ' ' TRP . 32.7 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.291 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 . . . . . 0 CA--C 1.508 -0.65 0 CA-C-O 121.38 0.61 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.658 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 11.3 p90 -164.51 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.482 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.559 ' N ' ' CG ' ' A' ' 4' ' ' PHE . . . -75.14 53.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.714 0.769 . . . . 0.0 110.908 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.838 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 18.9 p-90 -148.43 -45.42 0.15 Allowed 'General case' 0 CA--C 1.499 -1.007 0 CA-C-N 114.393 -1.276 . . . . 0.0 108.152 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.682 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 4.4 p-90 -68.92 -17.23 63.93 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.486 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 1.073 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.8 m95 -53.79 -58.95 11.0 Favored Pre-proline 0 CA--C 1.49 -1.352 0 C-N-CA 118.764 -1.174 . . . . 0.0 108.054 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.073 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 45.5 Cg_exo -45.05 -45.48 14.24 Favored 'Trans proline' 0 N--CA 1.429 -2.316 0 C-N-CA 122.355 2.036 . . . . 0.0 112.999 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.682 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -79.2 -61.8 1.9 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.018 179.131 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.669 HD12 ' CE3' ' A' ' 7' ' ' TRP . 13.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.352 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.674 0.273 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.754 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -151.59 -44.73 0.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.419 178.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.548 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -79.16 63.03 3.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.589 0.709 . . . . 0.0 110.615 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.887 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 15.8 p-90 -158.69 -44.64 0.06 Allowed 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.967 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.678 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 4.6 p-90 -67.24 -15.96 64.01 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.861 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 1.09 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.7 m95 -55.7 -60.24 9.15 Favored Pre-proline 0 CA--C 1.488 -1.42 0 C-N-CA 119.016 -1.074 . . . . 0.0 108.168 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.09 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 48.8 Cg_exo -45.08 -42.83 16.14 Favored 'Trans proline' 0 N--CA 1.425 -2.533 0 C-N-CA 121.968 1.779 . . . . 0.0 112.799 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.678 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -79.68 -63.72 1.35 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.62 0.724 . . . . 0.0 110.014 178.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 7' ' ' TRP . 12.3 mt . . . . . 0 N--CA 1.452 -0.327 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.436 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? . . . . . 0 C--O 1.232 0.162 0 N-CA-C 111.863 0.319 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.572 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 5.1 p90 -153.61 -38.34 0.1 Allowed 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.753 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.32 53.84 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.404 0.621 . . . . 0.0 112.102 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.705 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 p-90 -144.25 -39.69 0.28 Allowed 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.474 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.857 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 4.6 p-90 -74.55 -18.65 60.56 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.859 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.949 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.3 m0 -53.17 -55.43 34.12 Favored Pre-proline 0 CA--C 1.477 -1.842 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.349 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.949 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.2 Cg_exo -37.63 -43.74 1.44 Allowed 'Trans proline' 0 N--CA 1.418 -2.95 0 C-N-CA 121.925 1.75 . . . . 0.0 111.375 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.828 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.92 -63.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.007 177.242 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.857 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 39.7 mt . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 3' ' ' ARG . 16.3 mmt180 . . . . . 0 CA--C 1.51 -0.563 0 CA-C-O 121.098 0.475 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.651 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 32.2 p90 -171.06 -39.54 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.331 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.97 49.19 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.498 0.666 . . . . 0.0 112.239 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.673 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 p-90 -141.8 -38.54 0.39 Allowed 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.851 ' CD2' HD12 ' A' ' 11' ' ' LEU . 3.7 p-90 -76.23 -16.75 59.76 Favored 'General case' 0 N--CA 1.424 -1.73 0 CA-C-N 113.885 -1.507 . . . . 0.0 111.406 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.841 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 8.1 m0 -56.2 -53.13 66.96 Favored Pre-proline 0 CA--C 1.481 -1.676 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.503 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.841 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 9.4 Cg_exo -38.99 -46.35 2.78 Favored 'Trans proline' 0 N--CA 1.416 -3.037 0 C-N-CA 121.35 1.366 . . . . 0.0 111.377 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.845 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -90.59 -61.26 1.71 Allowed 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.61 177.133 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.851 HD12 ' CD2' ' A' ' 7' ' ' TRP . 28.8 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.439 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.619 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 6.8 ppt_? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.636 0.255 . . . . 0.0 111.527 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.605 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.8 p90 -157.25 -36.68 0.07 Allowed 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.35 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.6 52.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.389 0.614 . . . . 0.0 111.918 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.684 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.7 p-90 -145.13 -38.51 0.26 Allowed 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.724 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.817 ' CD2' HD12 ' A' ' 11' ' ' LEU . 5.2 p-90 -75.45 -17.0 60.27 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.437 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.839 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.7 m0 -55.97 -53.64 60.95 Favored Pre-proline 0 CA--C 1.481 -1.689 0 C-N-CA 119.035 -1.066 . . . . 0.0 108.349 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.839 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 4.5 Cg_exo -37.85 -45.96 1.94 Allowed 'Trans proline' 0 N--CA 1.417 -3.008 0 C-N-CA 121.375 1.384 . . . . 0.0 111.193 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.804 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.12 -64.59 1.11 Allowed 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.421 176.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.817 HD12 ' CD2' ' A' ' 7' ' ' TRP . 24.8 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.285 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.554 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.637 0.256 . . . . 0.0 111.367 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.566 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.0 p90 -156.87 -37.5 0.08 Allowed 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 120.86 0.362 . . . . 0.0 111.196 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.12 56.44 3.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.517 0.675 . . . . 0.0 111.4 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.753 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.0 p-90 -148.4 -40.3 0.16 Allowed 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.34 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.751 ' CD2' HD12 ' A' ' 11' ' ' LEU . 4.8 p-90 -73.18 -18.3 61.28 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.053 -178.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.911 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m0 -52.32 -54.53 40.89 Favored Pre-proline 0 CA--C 1.485 -1.53 0 CA-C-O 122.222 1.011 . . . . 0.0 108.322 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.911 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 17.2 Cg_exo -41.07 -48.6 4.81 Favored 'Trans proline' 0 N--CA 1.42 -2.818 0 C-N-CA 121.655 1.57 . . . . 0.0 112.633 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.655 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -84.3 -56.05 3.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.489 0.662 . . . . 0.0 109.664 178.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.751 HD12 ' CD2' ' A' ' 7' ' ' TRP . 11.5 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.77 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.746 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.9 p90 -153.44 -39.36 0.1 Allowed 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.3 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.46 55.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 0.0 111.893 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.71 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.9 p-90 -147.4 -40.68 0.18 Allowed 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.919 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.2 p-90 -72.67 -16.75 61.69 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.12 -1.4 . . . . 0.0 111.659 -178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.956 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -58.79 -55.36 46.93 Favored Pre-proline 0 CA--C 1.485 -1.549 0 C-N-CA 118.926 -1.109 . . . . 0.0 109.469 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.956 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 22.9 Cg_exo -41.94 -43.56 7.0 Favored 'Trans proline' 0 N--CA 1.424 -2.578 0 C-N-CA 121.892 1.728 . . . . 0.0 112.159 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.919 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -92.27 -58.08 2.5 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.007 177.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.748 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.662 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.596 ' HD3' ' C ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 N-CA-C 111.415 0.154 . . . . 0.0 111.415 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.631 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 6.4 p90 -152.65 -38.57 0.11 Allowed 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.303 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -79.4 51.56 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.398 0.618 . . . . 0.0 112.163 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.685 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.6 p-90 -144.0 -38.56 0.3 Allowed 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.297 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.824 ' CD2' HD12 ' A' ' 11' ' ' LEU . 4.0 p-90 -75.44 -16.78 60.3 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.513 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.848 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.6 m0 -56.17 -53.36 64.47 Favored Pre-proline 0 CA--C 1.48 -1.728 0 C-N-CA 118.954 -1.098 . . . . 0.0 108.398 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.848 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 11.1 Cg_exo -38.86 -45.08 2.52 Favored 'Trans proline' 0 N--CA 1.417 -3.029 0 C-N-CA 121.301 1.334 . . . . 0.0 111.423 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.803 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.59 -61.64 1.6 Allowed 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.588 177.076 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.824 HD12 ' CD2' ' A' ' 7' ' ' TRP . 21.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.301 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.526 ' HD3' ' C ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.62 0.248 . . . . 0.0 111.306 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.669 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -152.99 -38.11 0.1 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.032 178.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.21 59.26 3.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.346 0.593 . . . . 0.0 111.51 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.802 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.6 p-90 -152.56 -41.88 0.1 Allowed 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 115.146 -0.933 . . . . 0.0 108.581 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.757 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 4.3 p-90 -71.13 -17.24 62.57 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.284 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.997 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.6 m0 -53.59 -56.25 26.85 Favored Pre-proline 0 CA--C 1.489 -1.373 0 CA-C-O 122.033 0.921 . . . . 0.0 108.831 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.997 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 33.5 Cg_exo -43.8 -48.43 8.99 Favored 'Trans proline' 0 N--CA 1.426 -2.466 0 C-N-CA 122.184 1.923 . . . . 0.0 112.814 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.669 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -82.11 -57.85 3.21 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.501 0.667 . . . . 0.0 110.246 178.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.757 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 13.6 mt . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.134 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 121.02 0.438 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.671 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 22.8 p90 -168.78 -41.58 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.986 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 4' ' ' PHE . . . -77.1 49.69 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.703 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.0 p-90 -141.48 -39.56 0.39 Allowed 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.854 ' CD2' HD12 ' A' ' 11' ' ' LEU . 3.0 p-90 -74.7 -18.65 60.48 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.768 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.95 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.8 m0 -53.21 -55.37 34.76 Favored Pre-proline 0 CA--C 1.479 -1.765 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.205 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.95 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.1 Cg_exo -37.64 -43.39 1.38 Allowed 'Trans proline' 0 N--CA 1.42 -2.848 0 C-N-CA 121.99 1.793 . . . . 0.0 111.292 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.835 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.63 -65.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.973 177.275 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.854 HD12 ' CD2' ' A' ' 7' ' ' TRP . 36.6 mt . . . . . 0 C--N 1.33 -0.249 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.526 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.4 ppt_? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.667 0.27 . . . . 0.0 111.475 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.662 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -154.09 -40.84 0.09 Allowed 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.093 178.797 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.19 59.83 4.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.39 0.614 . . . . 0.0 111.786 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.718 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.3 p-90 -153.2 -39.94 0.1 Allowed 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.122 -0.944 . . . . 0.0 108.615 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.788 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 3.3 p-90 -72.57 -17.94 61.66 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.434 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.958 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 9.9 m0 -54.99 -56.97 22.01 Favored Pre-proline 0 CA--C 1.478 -1.788 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.638 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.958 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -36.16 -41.18 0.5 Allowed 'Trans proline' 0 N--CA 1.419 -2.891 0 C-N-CA 121.997 1.798 . . . . 0.0 111.564 -178.516 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.788 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.52 -60.09 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.73 176.68 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.788 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . 33.7 mt . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.486 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 4.1 p . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.851 0.358 . . . . 0.0 111.319 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.545 HH12 ' HE ' ' A' ' 3' ' ' ARG . 56.9 ttt-85 -66.63 -75.88 0.09 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.658 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 6.4 ppt_? -176.31 16.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.97 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 11.7 p90 -156.13 -37.64 0.08 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.458 -0.497 . . . . 0.0 111.451 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.75 49.22 0.74 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.427 0.632 . . . . 0.0 112.356 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.676 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.5 p-90 -140.32 -39.66 0.43 Allowed 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.874 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 4.7 p-90 -74.98 -18.82 60.32 Favored 'General case' 0 N--CA 1.425 -1.725 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.216 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.926 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.4 m0 -53.77 -54.41 46.74 Favored Pre-proline 0 CA--C 1.478 -1.823 0 C-N-CA 119.376 -0.929 . . . . 0.0 109.167 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.926 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.4 Cg_exo -37.41 -44.89 1.5 Allowed 'Trans proline' 0 N--CA 1.418 -2.932 0 C-N-CA 121.866 1.71 . . . . 0.0 111.397 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.851 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.81 -62.67 1.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.894 177.197 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.874 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 33.3 mt -50.23 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.803 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -46.14 -41.54 12.61 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.039 -177.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.637 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 37.7 ttt85 -67.17 -71.21 0.21 Allowed 'General case' 0 C--O 1.25 1.087 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.844 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 118.779 -2.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.691 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.9 p . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.86 0.362 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.872 ' HG3' ' HG3' ' A' ' 3' ' ' ARG . 12.3 tpp85 -65.91 -79.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.872 ' HG3' ' HG3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.27 24.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.27 178.416 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.72 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -151.69 -41.72 0.11 Allowed 'General case' 0 C--O 1.222 -0.376 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.265 179.017 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.59 59.05 3.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.339 0.59 . . . . 0.0 111.818 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.72 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 p-90 -151.27 -40.34 0.12 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.669 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.888 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.0 p-90 -73.0 -16.5 61.51 Favored 'General case' 0 CA--C 1.486 -1.5 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.459 -178.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.988 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.6 m0 -58.22 -56.17 37.85 Favored Pre-proline 0 CA--C 1.485 -1.521 0 C-N-CA 119.005 -1.078 . . . . 0.0 109.103 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.988 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 18.1 Cg_exo -41.47 -41.34 5.3 Favored 'Trans proline' 0 N--CA 1.426 -2.499 0 C-N-CA 122.15 1.9 . . . . 0.0 112.162 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.888 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -96.48 -61.84 1.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.952 -0.699 . . . . 0.0 111.074 177.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.751 HD12 ' CD2' ' A' ' 7' ' ' TRP . 17.9 mt -42.97 -58.09 2.57 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.74 -0.663 . . . . 0.0 112.295 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.622 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 48.9 mtp85 -69.1 -57.95 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.242 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.627 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 48.6 ttp85 -64.45 -78.6 0.05 OUTLIER 'General case' 0 C--O 1.249 1.056 0 CA-C-O 118.112 -0.946 . . . . 0.0 110.939 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 1 O-C-N 114.247 -5.283 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.677 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.8 p . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.83 0.348 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -79.71 -64.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.532 ' HD3' ' O ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER -176.23 23.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.508 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.766 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.8 p90 -157.51 -38.14 0.07 Allowed 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.117 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.49 53.96 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.295 0.569 . . . . 0.0 111.936 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.72 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.8 p-90 -145.72 -40.77 0.22 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.261 -0.881 . . . . 0.0 108.692 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.89 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.6 p-90 -72.48 -17.88 61.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.667 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.949 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.7 m0 -57.79 -55.74 41.82 Favored Pre-proline 0 CA--C 1.486 -1.507 0 C-N-CA 118.815 -1.154 . . . . 0.0 109.18 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.949 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 24.4 Cg_exo -42.13 -41.69 7.03 Favored 'Trans proline' 0 N--CA 1.424 -2.575 0 C-N-CA 122.108 1.872 . . . . 0.0 112.277 -178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.89 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.09 -61.18 1.53 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.62 177.684 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.723 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 17.5 mt -43.94 -57.85 3.09 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.865 -178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.589 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 67.6 mtt-85 -75.93 -67.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.811 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.663 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 72.3 mtt-85 -67.68 -69.62 0.31 Allowed 'General case' 0 C--O 1.25 1.085 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.936 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 1 O-C-N 85.392 -23.317 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.4 p . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.781 0.324 . . . . 0.0 111.476 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -70.47 -66.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.83 24.66 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.71 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.609 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.4 p90 -153.86 -38.19 0.1 Allowed 'General case' 0 C--O 1.225 -0.236 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.547 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -81.03 56.14 2.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.549 0.69 . . . . 0.0 111.601 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.69 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -148.03 -38.85 0.18 Allowed 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.384 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.839 ' CD2' HD12 ' A' ' 11' ' ' LEU . 4.5 p-90 -75.64 -16.21 60.24 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 113.934 -1.484 . . . . 0.0 111.372 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.871 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.8 m0 -56.35 -53.58 62.43 Favored Pre-proline 0 CA--C 1.481 -1.679 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.388 -179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.871 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 8.9 Cg_exo -38.93 -45.26 2.6 Favored 'Trans proline' 0 N--CA 1.416 -3.064 0 C-N-CA 121.271 1.314 . . . . 0.0 111.557 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.832 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.74 -60.46 1.86 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.673 177.2 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.839 HD12 ' CD2' ' A' ' 7' ' ' TRP . 25.2 mt -51.6 -56.15 15.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.168 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.724 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 17.4 mtp85 -74.89 -10.09 59.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.23 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 79.5 ttt180 -41.54 96.59 0.01 OUTLIER 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.39 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 118.647 0.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 6' ' ' TRP . 3.5 p . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.838 0.352 . . . . 0.0 111.339 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.68 ' HD3' ' HG3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -74.27 -71.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.68 ' HG3' ' HD3' ' A' ' 2' ' ' ARG . 7.1 ppt_? -176.1 22.18 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.565 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.599 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.8 p90 -155.43 -38.79 0.09 Allowed 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.933 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.77 55.78 2.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.458 0.647 . . . . 0.0 112.026 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.711 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 p-90 -146.85 -40.13 0.2 Allowed 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.372 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.872 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 3.8 p-90 -74.19 -17.56 60.88 Favored 'General case' 0 N--CA 1.423 -1.789 0 CA-C-N 113.637 -1.619 . . . . 0.0 110.857 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.924 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m0 -54.33 -55.66 34.75 Favored Pre-proline 0 CA--C 1.479 -1.774 0 C-N-CA 119.789 -0.764 . . . . 0.0 109.472 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.924 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.3 Cg_exo -37.9 -43.82 1.63 Allowed 'Trans proline' 0 N--CA 1.419 -2.895 0 C-N-CA 121.955 1.77 . . . . 0.0 111.458 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.848 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.25 -63.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.838 177.266 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.872 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 39.4 mt -50.65 -78.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.794 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 1.5 ptt180 -47.08 -40.94 16.22 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.986 -177.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.68 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 79.4 ttt180 -66.4 -71.52 0.19 Allowed 'General case' 0 C--O 1.25 1.093 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.878 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 119.127 0.876 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 6' ' ' TRP . 3.2 m . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 110.615 -0.143 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 -49.09 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.34 26.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.218 178.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.73 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.9 p90 -152.31 -39.67 0.11 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.248 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.48 56.75 2.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.388 0.613 . . . . 0.0 111.966 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.807 ' HB3' HG21 ' A' ' 1' ' ' VAL . 2.2 p-90 -150.02 -39.66 0.14 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.107 -0.951 . . . . 0.0 108.481 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.902 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.7 p-90 -73.15 -15.67 61.46 Favored 'General case' 0 CA--C 1.485 -1.523 0 CA-C-N 114.253 -1.34 . . . . 0.0 111.315 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.953 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -59.59 -55.74 42.85 Favored Pre-proline 0 CA--C 1.486 -1.512 0 C-N-CA 118.832 -1.147 . . . . 0.0 109.23 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.953 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 18.5 Cg_exo -41.68 -43.04 6.35 Favored 'Trans proline' 0 N--CA 1.425 -2.528 0 C-N-CA 121.925 1.75 . . . . 0.0 112.191 -178.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.902 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -93.02 -56.89 2.81 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.046 -0.662 . . . . 0.0 111.062 177.766 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.704 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt -49.56 -55.62 12.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.595 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.575 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 38.3 mtp85 -87.34 13.2 10.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.936 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -49.82 101.32 0.03 OUTLIER 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.978 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 119.093 0.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 6' ' ' TRP . 3.0 p . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.611 ' HD2' ' HG3' ' A' ' 3' ' ' ARG . 1.6 tmt_? -78.0 -65.08 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.611 ' HG3' ' HD2' ' A' ' 2' ' ' ARG . 7.2 ppt_? -176.24 23.1 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.309 178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.785 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.6 p90 -155.65 -38.67 0.08 Allowed 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.254 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.46 54.03 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.31 0.576 . . . . 0.0 112.121 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.701 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.5 p-90 -146.19 -40.28 0.22 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.901 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.3 p-90 -72.85 -16.5 61.59 Favored 'General case' 0 CA--C 1.486 -1.485 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.549 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.965 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -59.38 -55.68 43.62 Favored Pre-proline 0 CA--C 1.486 -1.503 0 C-N-CA 118.823 -1.151 . . . . 0.0 109.231 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.965 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 19.5 Cg_exo -41.5 -42.89 5.87 Favored 'Trans proline' 0 N--CA 1.424 -2.563 0 C-N-CA 121.922 1.748 . . . . 0.0 112.235 -178.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.901 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -93.66 -57.28 2.62 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.916 177.651 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.698 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt -48.45 -55.75 10.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.361 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.557 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 39.8 mtp85 -88.97 14.36 10.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.751 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 29.7 tpt180 -55.88 93.04 0.01 OUTLIER 'General case' 0 C--O 1.249 1.055 0 CA-C-O 118.03 -0.986 . . . . 0.0 111.026 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 1 O-C-N 103.559 -11.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.661 HG11 ' HB3' ' A' ' 6' ' ' TRP . 94.3 t . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.638 0.256 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.483 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 75.4 ttt180 -72.83 -66.67 0.64 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.521 ' HD3' ' C ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -176.63 25.54 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.183 179.459 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.745 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.1 p90 -151.82 -40.85 0.11 Allowed 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.179 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.08 58.79 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.399 0.619 . . . . 0.0 111.911 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.711 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.5 p-90 -151.59 -41.6 0.11 Allowed 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.902 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.2 p-90 -71.93 -15.83 62.1 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.082 -1.417 . . . . 0.0 111.369 -178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.984 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 5.7 m0 -59.26 -56.91 31.2 Favored Pre-proline 0 CA--C 1.482 -1.663 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.27 -178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.984 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 24.1 Cg_exo -41.73 -42.42 6.28 Favored 'Trans proline' 0 N--CA 1.421 -2.736 0 C-N-CA 121.662 1.575 . . . . 0.0 112.058 -178.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.902 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.5 -63.86 1.13 Allowed 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.243 177.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.782 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 16.9 mt -40.79 -53.03 2.93 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.314 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.57 ' HD2' ' CE3' ' A' ' 8' ' ' TRP . 37.6 mtp85 -67.52 -68.6 0.37 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.598 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 99.3 mtt180 -69.64 -74.53 0.13 Allowed 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.058 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 1 O-C-N 101.324 -13.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.516 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 3.3 p . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.349 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.438 HH11 ' HG3' ' A' ' 3' ' ' ARG . 47.5 ttt-85 -70.75 -75.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.553 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.4 ppt_? -176.16 22.26 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.453 178.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.709 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.1 p90 -156.13 -38.23 0.08 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.966 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.38 54.9 2.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.429 0.633 . . . . 0.0 111.888 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.712 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.3 p-90 -147.7 -40.85 0.17 Allowed 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.838 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 4.3 p-90 -72.07 -19.52 61.81 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.643 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.072 ' HB3' ' HD2' ' A' ' 12' ' ' ARG . 10.6 m95 -54.45 -57.17 19.89 Favored Pre-proline 0 CA--C 1.478 -1.792 0 C-N-CA 119.149 -1.02 . . . . 0.0 109.596 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.968 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -37.11 -41.45 0.76 Allowed 'Trans proline' 0 N--CA 1.417 -3.006 0 C-N-CA 121.901 1.734 . . . . 0.0 111.841 -178.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.838 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.35 -59.88 1.79 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 119.895 -0.722 . . . . 0.0 111.001 176.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.753 HD12 ' CD2' ' A' ' 7' ' ' TRP . 32.7 mt -53.61 -65.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.291 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.072 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -74.9 5.02 5.53 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.929 -178.606 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 5.8 tmm_? -50.1 95.22 0.01 OUTLIER 'General case' 0 C--O 1.249 1.059 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.814 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 1 O-C-N 109.442 -8.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.803 HG23 ' HB3' ' A' ' 6' ' ' TRP . 2.4 p . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.971 0.415 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' A' ' 2' ' ' ARG . 40.9 mmt-85 -70.12 -125.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.206 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -144.56 21.35 1.67 Allowed 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.38 0.61 . . . . 0.0 109.913 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.658 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 11.3 p90 -164.51 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.482 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.559 ' N ' ' CG ' ' A' ' 4' ' ' PHE . . . -75.14 53.31 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.714 0.769 . . . . 0.0 110.908 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.838 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 18.9 p-90 -148.43 -45.42 0.15 Allowed 'General case' 0 CA--C 1.499 -1.007 0 CA-C-N 114.393 -1.276 . . . . 0.0 108.152 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.682 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 4.4 p-90 -68.92 -17.23 63.93 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.486 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.073 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.8 m95 -53.79 -58.95 11.0 Favored Pre-proline 0 CA--C 1.49 -1.352 0 C-N-CA 118.764 -1.174 . . . . 0.0 108.054 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.073 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 45.5 Cg_exo -45.05 -45.48 14.24 Favored 'Trans proline' 0 N--CA 1.429 -2.316 0 C-N-CA 122.355 2.036 . . . . 0.0 112.999 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.682 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -79.2 -61.8 1.9 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.018 179.131 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.669 HD12 ' CE3' ' A' ' 7' ' ' TRP . 13.6 mt -55.94 -67.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.784 -1.098 . . . . 0.0 112.352 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.616 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 64.3 mtt-85 -66.5 -64.59 0.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.99 -178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.622 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 58.8 ttt-85 -70.9 2.96 3.67 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-O 118.012 -0.994 . . . . 0.0 111.169 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 1 O-C-N 99.371 -14.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.726 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 2.6 p . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -62.6 -82.41 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.11 25.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.303 178.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.754 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.2 OUTLIER -151.59 -44.73 0.11 Allowed 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.419 178.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.548 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -79.16 63.03 3.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.589 0.709 . . . . 0.0 110.615 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.887 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 15.8 p-90 -158.69 -44.64 0.06 Allowed 'General case' 0 CA--C 1.5 -0.952 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.967 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.678 ' HA ' ' CD1' ' A' ' 10' ' ' PHE . 4.6 p-90 -67.24 -15.96 64.01 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.861 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.09 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.7 m95 -55.7 -60.24 9.15 Favored Pre-proline 0 CA--C 1.488 -1.42 0 C-N-CA 119.016 -1.074 . . . . 0.0 108.168 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.09 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 48.8 Cg_exo -45.08 -42.83 16.14 Favored 'Trans proline' 0 N--CA 1.425 -2.533 0 C-N-CA 121.968 1.779 . . . . 0.0 112.799 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.678 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -79.68 -63.72 1.35 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.62 0.724 . . . . 0.0 110.014 178.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.659 ' HG ' ' O ' ' A' ' 7' ' ' TRP . 12.3 mt -56.16 -65.77 0.55 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.611 -1.177 . . . . 0.0 112.436 -178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.623 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 70.4 mtt-85 -65.81 -67.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.295 0.479 . . . . 0.0 112.295 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' ' 9' ' ' PRO . 4.4 tmm_? -65.01 -42.79 94.14 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 118.012 -0.995 . . . . 0.0 110.525 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 1 O-C-N 109.143 -8.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.635 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.9 m . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.436 0.16 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.794 ' HD3' ' HG3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -54.75 -69.86 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.082 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.794 ' HG3' ' HD3' ' A' ' 2' ' ' ARG . 6.2 ppt_? -176.96 24.56 0.0 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.863 178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.572 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 5.1 p90 -153.61 -38.34 0.1 Allowed 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.753 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.32 53.84 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.404 0.621 . . . . 0.0 112.102 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.705 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 p-90 -144.25 -39.69 0.28 Allowed 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.474 179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.857 ' HE3' ' HB2' ' A' ' 11' ' ' LEU . 4.6 p-90 -74.55 -18.65 60.56 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 113.807 -1.542 . . . . 0.0 110.859 -178.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.949 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.3 m0 -53.17 -55.43 34.12 Favored Pre-proline 0 CA--C 1.477 -1.842 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.349 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.949 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.2 Cg_exo -37.63 -43.74 1.44 Allowed 'Trans proline' 0 N--CA 1.418 -2.95 0 C-N-CA 121.925 1.75 . . . . 0.0 111.375 -179.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.828 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -94.92 -63.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.007 177.242 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.857 ' HB2' ' HE3' ' A' ' 7' ' ' TRP . 39.7 mt -49.74 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.813 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -52.38 -43.95 65.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.362 -177.32 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.724 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 46.8 ttm-85 -68.89 -75.94 0.1 Allowed 'General case' 0 C--O 1.25 1.091 0 CA-C-O 118.002 -0.999 . . . . 0.0 111.011 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.428 0 O-C-N 120.73 -1.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.566 ' CG2' ' HB3' ' A' ' 6' ' ' TRP . 2.5 p . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.861 0.362 . . . . 0.0 111.626 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' A' ' 2' ' ' ARG . 28.9 tpt85 -68.92 -116.13 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 3' ' ' ARG . 16.3 mmt180 -147.43 30.18 0.93 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.098 0.475 . . . . 0.0 110.289 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.651 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 32.2 p90 -171.06 -39.54 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.331 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.97 49.19 0.64 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.498 0.666 . . . . 0.0 112.239 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.673 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 p-90 -141.8 -38.54 0.39 Allowed 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.851 ' CD2' HD12 ' A' ' 11' ' ' LEU . 3.7 p-90 -76.23 -16.75 59.76 Favored 'General case' 0 N--CA 1.424 -1.73 0 CA-C-N 113.885 -1.507 . . . . 0.0 111.406 -178.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.841 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 8.1 m0 -56.2 -53.13 66.96 Favored Pre-proline 0 CA--C 1.481 -1.676 0 C-N-CA 119.025 -1.07 . . . . 0.0 108.503 -179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.841 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 9.4 Cg_exo -38.99 -46.35 2.78 Favored 'Trans proline' 0 N--CA 1.416 -3.037 0 C-N-CA 121.35 1.366 . . . . 0.0 111.377 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.845 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -90.59 -61.26 1.71 Allowed 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.61 177.133 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.851 HD12 ' CD2' ' A' ' 7' ' ' TRP . 28.8 mt -50.92 -56.25 13.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.439 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.719 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 33.5 mtp180 -75.05 -9.09 58.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.42 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 39.5 ttm180 -41.43 96.06 0.01 OUTLIER 'General case' 0 C--O 1.249 1.066 0 CA-C-O 118.066 -0.969 . . . . 0.0 111.359 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 119.024 -2.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.7 p . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.803 0.335 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.419 HH11 ' HG3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -76.22 -64.74 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.762 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.619 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 6.8 ppt_? -176.27 23.37 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.527 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.605 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 3.8 p90 -157.25 -36.68 0.07 Allowed 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.35 179.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.6 52.84 1.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.389 0.614 . . . . 0.0 111.918 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.684 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.7 p-90 -145.13 -38.51 0.26 Allowed 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.062 -0.972 . . . . 0.0 108.724 179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.817 ' CD2' HD12 ' A' ' 11' ' ' LEU . 5.2 p-90 -75.45 -17.0 60.27 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.437 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.839 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.7 m0 -55.97 -53.64 60.95 Favored Pre-proline 0 CA--C 1.481 -1.689 0 C-N-CA 119.035 -1.066 . . . . 0.0 108.349 -179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.839 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 4.5 Cg_exo -37.85 -45.96 1.94 Allowed 'Trans proline' 0 N--CA 1.417 -3.008 0 C-N-CA 121.375 1.384 . . . . 0.0 111.193 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.804 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.12 -64.59 1.11 Allowed 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 119.826 -0.75 . . . . 0.0 110.421 176.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.817 HD12 ' CD2' ' A' ' 7' ' ' TRP . 24.8 mt -47.29 -55.25 9.07 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.285 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.669 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 8.8 mtp85 -78.03 36.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.682 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' PHE . 33.3 tpt85 -53.43 99.92 0.03 OUTLIER 'General case' 0 C--O 1.249 1.045 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 112.368 -6.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.706 HG21 ' HB3' ' A' ' 6' ' ' TRP . 3.3 p . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.389 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.579 ' HD2' ' HG3' ' A' ' 3' ' ' ARG . 1.3 tmt_? -77.73 -66.42 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.579 ' HG3' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -176.59 25.44 0.0 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.367 178.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 2.0 p90 -156.87 -37.5 0.08 Allowed 'General case' 0 C--O 1.224 -0.24 0 CA-C-O 120.86 0.362 . . . . 0.0 111.196 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.12 56.44 3.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.517 0.675 . . . . 0.0 111.4 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.753 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 2.0 p-90 -148.4 -40.3 0.16 Allowed 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.34 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.77 ' HZ3' ' HG3' ' A' ' 12' ' ' ARG . 4.8 p-90 -73.18 -18.3 61.28 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 114.078 -1.419 . . . . 0.0 111.053 -178.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.911 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m0 -52.32 -54.53 40.89 Favored Pre-proline 0 CA--C 1.485 -1.53 0 CA-C-O 122.222 1.011 . . . . 0.0 108.322 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.911 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 17.2 Cg_exo -41.07 -48.6 4.81 Favored 'Trans proline' 0 N--CA 1.42 -2.818 0 C-N-CA 121.655 1.57 . . . . 0.0 112.633 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.655 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -84.3 -56.05 3.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.489 0.662 . . . . 0.0 109.664 178.357 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.751 HD12 ' CD2' ' A' ' 7' ' ' TRP . 11.5 mt -59.41 -63.6 1.24 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.77 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.77 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 50.5 mtt-85 -68.98 -3.6 13.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.143 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 60.2 ttp180 -42.45 97.64 0.01 OUTLIER 'General case' 0 C--O 1.248 1.02 0 CA-C-O 118.077 -0.964 . . . . 0.0 111.374 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 O-C-N 120.508 -1.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.648 HG21 ' HB3' ' A' ' 6' ' ' TRP . 7.3 m . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.777 0.322 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.1 mtt85 -60.08 -75.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.29 22.49 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.939 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.746 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.9 p90 -153.44 -39.36 0.1 Allowed 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.3 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.46 55.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 0.0 111.893 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.71 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 1.9 p-90 -147.4 -40.68 0.18 Allowed 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.919 ' HA ' ' CE2' ' A' ' 10' ' ' PHE . 5.2 p-90 -72.67 -16.75 61.69 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.12 -1.4 . . . . 0.0 111.659 -178.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.956 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.0 m0 -58.79 -55.36 46.93 Favored Pre-proline 0 CA--C 1.485 -1.549 0 C-N-CA 118.926 -1.109 . . . . 0.0 109.469 -178.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.956 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 22.9 Cg_exo -41.94 -43.56 7.0 Favored 'Trans proline' 0 N--CA 1.424 -2.578 0 C-N-CA 121.892 1.728 . . . . 0.0 112.159 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.919 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -92.27 -58.08 2.5 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.029 -0.668 . . . . 0.0 111.007 177.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.748 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 18.5 mt -48.41 -55.42 10.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.662 -178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.581 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 36.5 mtp85 -87.95 15.7 6.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.134 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 3.5 tmt_? -49.16 100.7 0.02 OUTLIER 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.507 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 O-C-N 118.807 -2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.739 HG21 ' HB3' ' A' ' 6' ' ' TRP . 3.2 m . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.454 0.169 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.727 ' HG2' ' HG3' ' A' ' 3' ' ' ARG . 40.6 ttt85 -54.62 -68.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.727 ' HG3' ' HG2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -176.38 23.92 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.415 179.48 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.631 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 6.4 p90 -152.65 -38.57 0.11 Allowed 'General case' 0 C--O 1.224 -0.276 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.303 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 4' ' ' PHE . . . -79.4 51.56 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.398 0.618 . . . . 0.0 112.163 -178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.739 ' HB3' HG21 ' A' ' 1' ' ' VAL . 1.6 p-90 -144.0 -38.56 0.3 Allowed 'General case' 0 CA--C 1.505 -0.775 0 CA-C-N 114.995 -1.002 . . . . 0.0 108.297 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.824 ' CD2' HD12 ' A' ' 11' ' ' LEU . 4.0 p-90 -75.44 -16.78 60.3 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.513 -178.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.848 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 7.6 m0 -56.17 -53.36 64.47 Favored Pre-proline 0 CA--C 1.48 -1.728 0 C-N-CA 118.954 -1.098 . . . . 0.0 108.398 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.848 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 11.1 Cg_exo -38.86 -45.08 2.52 Favored 'Trans proline' 0 N--CA 1.417 -3.029 0 C-N-CA 121.301 1.334 . . . . 0.0 111.423 -178.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.803 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -91.59 -61.64 1.6 Allowed 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.588 177.076 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.824 HD12 ' CD2' ' A' ' 7' ' ' TRP . 21.7 mt -50.65 -55.89 14.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.301 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.746 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 19.1 mtp85 -76.27 -7.77 55.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.409 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -44.17 96.72 0.01 OUTLIER 'General case' 0 C--O 1.249 1.054 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.818 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.397 0 O-C-N 120.062 -1.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.853 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.9 p . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.886 0.374 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.676 ' HD2' ' HG3' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -78.6 -63.61 1.37 Allowed 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.676 ' HG3' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -175.98 24.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.306 179.1 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.669 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 1.0 OUTLIER -152.99 -38.11 0.1 Allowed 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.032 178.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.21 59.26 3.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.346 0.593 . . . . 0.0 111.51 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.853 ' HB3' HG21 ' A' ' 1' ' ' VAL . 1.6 p-90 -152.56 -41.88 0.1 Allowed 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 115.146 -0.933 . . . . 0.0 108.581 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.757 ' HB2' ' HG ' ' A' ' 11' ' ' LEU . 4.3 p-90 -71.13 -17.24 62.57 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.284 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.997 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 6.6 m0 -53.59 -56.25 26.85 Favored Pre-proline 0 CA--C 1.489 -1.373 0 CA-C-O 122.033 0.921 . . . . 0.0 108.831 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.997 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 33.5 Cg_exo -43.8 -48.43 8.99 Favored 'Trans proline' 0 N--CA 1.426 -2.466 0 C-N-CA 122.184 1.923 . . . . 0.0 112.814 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.669 ' CD1' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -82.11 -57.85 3.21 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.501 0.667 . . . . 0.0 110.246 178.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.757 ' HG ' ' HB2' ' A' ' 7' ' ' TRP . 13.6 mt -53.49 -61.76 2.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.134 -178.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.621 ' HG3' ' HZ3' ' A' ' 7' ' ' TRP . 87.8 mtt180 -78.85 7.82 6.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.986 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 9' ' ' PRO . 37.0 tpt85 -47.52 101.54 0.03 OUTLIER 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.085 -0.96 . . . . 0.0 111.039 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 115.855 -4.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.892 HG21 ' HB3' ' A' ' 6' ' ' TRP . 4.2 m . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.561 ' HG3' ' H ' ' A' ' 3' ' ' ARG . 22.3 tpp180 -76.23 -120.39 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.561 ' H ' ' HG3' ' A' ' 2' ' ' ARG . 12.3 mmt85 -140.47 29.77 1.95 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.02 0.438 . . . . 0.0 110.24 178.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.671 ' HA ' ' CD1' ' A' ' 7' ' ' TRP . 22.8 p90 -168.78 -41.58 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.986 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' ' 4' ' ' PHE . . . -77.1 49.69 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -178.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.892 ' HB3' HG21 ' A' ' 1' ' ' VAL . 2.0 p-90 -141.48 -39.56 0.39 Allowed 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.854 ' CD2' HD12 ' A' ' 11' ' ' LEU . 3.0 p-90 -74.7 -18.65 60.48 Favored 'General case' 0 N--CA 1.421 -1.876 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.768 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.95 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 10.8 m0 -53.21 -55.37 34.76 Favored Pre-proline 0 CA--C 1.479 -1.765 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.205 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.95 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 1.1 Cg_exo -37.64 -43.39 1.38 Allowed 'Trans proline' 0 N--CA 1.42 -2.848 0 C-N-CA 121.99 1.793 . . . . 0.0 111.292 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.835 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.63 -65.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.973 177.275 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.854 HD12 ' CD2' ' A' ' 7' ' ' TRP . 36.6 mt -48.35 -75.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.81 ' HG2' ' HB3' ' A' ' 8' ' ' TRP . 1.1 ptt180 -51.04 -42.3 60.4 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.144 -177.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.676 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 40.3 ttm180 -67.31 -81.33 0.03 OUTLIER 'General case' 0 C--O 1.249 1.027 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.857 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 1 O-C-N 112.285 -6.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.73 HG21 ' HB3' ' A' ' 6' ' ' TRP . 2.7 p . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.848 0.356 . . . . 0.0 111.347 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -73.84 -72.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.526 ' O ' ' HD2' ' A' ' 3' ' ' ARG . 7.4 ppt_? -176.23 26.25 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.475 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.662 ' HD1' ' HE1' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -154.09 -40.84 0.09 Allowed 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.093 178.797 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.19 59.83 4.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.39 0.614 . . . . 0.0 111.786 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.73 ' HB3' HG21 ' A' ' 1' ' ' VAL . 2.3 p-90 -153.2 -39.94 0.1 Allowed 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 115.122 -0.944 . . . . 0.0 108.615 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.788 ' CE3' ' HB2' ' A' ' 11' ' ' LEU . 3.3 p-90 -72.57 -17.94 61.66 Favored 'General case' 0 N--CA 1.422 -1.828 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.434 -178.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 1.048 ' HB3' ' HD2' ' A' ' 12' ' ' ARG . 9.9 m0 -54.99 -56.97 22.01 Favored Pre-proline 0 CA--C 1.478 -1.788 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.638 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.958 ' HD3' ' HB2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -36.16 -41.18 0.5 Allowed 'Trans proline' 0 N--CA 1.419 -2.891 0 C-N-CA 121.997 1.798 . . . . 0.0 111.564 -178.516 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.788 ' CE2' ' HA ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -95.52 -60.09 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.73 176.68 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.788 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . 33.7 mt -54.82 -80.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 1.048 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -51.4 -32.18 25.4 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -177.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.774 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 79.0 ttt180 -72.12 -71.67 0.27 Allowed 'General case' 0 C--O 1.248 1.004 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 O-C-N 119.224 -2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_