data_2igu_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 2igu _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 ' 2' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 CA--C 1.571 1.771 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.5 t -93.98 -70.97 0.68 Allowed 'General case' 0 CA--C 1.563 1.461 0 CA-C-N 120.33 1.423 . . . . 0.0 110.969 159.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 t 43.08 74.0 0.13 Allowed 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -155.65 153.76 26.84 Favored Pre-proline 0 CA--C 1.577 2.002 0 O-C-N 121.359 -0.838 . . . . 0.0 110.925 -155.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -43.33 -45.78 9.87 Favored 'Trans proline' 0 CA--C 1.571 2.37 0 N-CA-C 119.482 2.839 . . . . 0.0 119.482 166.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -64.48 -22.1 66.86 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 119.113 3.005 . . . . 0.0 119.113 167.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -101.15 119.06 38.2 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 119.562 1.074 . . . . 0.0 112.473 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.98 -73.82 0.64 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.046 -1.033 . . . . 0.0 110.971 165.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 42.0 t-105 -111.79 68.53 0.67 Allowed 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 119.895 1.225 . . . . 0.0 111.289 168.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -126.06 -59.27 1.34 Allowed 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.576 -170.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 124.689 2.185 . . . . 0.0 112.101 164.756 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.569 1.709 0 CA-C-O 118.837 -0.601 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.8 t -78.2 -62.76 1.57 Allowed 'General case' 0 CA--C 1.565 1.557 0 CA-C-N 120.91 1.686 . . . . 0.0 112.496 167.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.6 t 50.45 66.53 1.13 Allowed 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -146.1 154.11 49.95 Favored Pre-proline 0 CA--C 1.577 1.994 0 O-C-N 120.828 -1.17 . . . . 0.0 111.991 -158.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.25 -39.69 34.84 Favored 'Trans proline' 0 CA--C 1.571 2.332 0 N-CA-C 119.332 2.782 . . . . 0.0 119.332 164.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -63.68 -39.54 94.58 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 163.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.2 m -92.36 86.91 5.83 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 124.32 1.048 . . . . 0.0 112.609 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.57 -73.07 0.34 Allowed 'General case' 0 CA--C 1.565 1.531 0 O-C-N 121.114 -0.991 . . . . 0.0 112.751 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -112.51 81.32 1.46 Allowed 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 122.011 0.91 . . . . 0.0 109.506 158.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -131.54 -79.64 0.52 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.842 0.857 . . . . 0.0 109.727 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 124.459 2.076 . . . . 0.0 110.333 177.328 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 CA--C 1.571 1.786 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.6 t -98.81 -79.39 0.48 Allowed 'General case' 0 CA--C 1.569 1.696 0 CA-C-N 119.176 0.898 . . . . 0.0 110.161 163.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.8 t 52.13 79.32 0.11 Allowed 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -168.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -144.63 152.87 53.92 Favored Pre-proline 0 CA--C 1.577 2.012 0 C-N-CA 124.074 0.95 . . . . 0.0 111.397 -161.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -36.33 -48.0 1.23 Allowed 'Trans proline' 0 CA--C 1.571 2.349 0 N-CA-C 120.16 3.1 . . . . 0.0 120.16 156.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -69.43 -39.53 77.78 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 169.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.9 m -77.37 95.35 4.39 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -175.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.83 -59.89 2.43 Favored 'General case' 0 CA--C 1.565 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 113.325 167.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -136.55 83.38 2.0 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.376 -0.828 . . . . 0.0 109.017 162.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -126.71 -66.58 0.9 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.157 0.983 . . . . 0.0 110.625 -171.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 124.668 2.175 . . . . 0.0 110.013 169.344 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.4 t . . . . . 0 CA--C 1.572 1.799 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.37 -74.2 0.36 Allowed 'General case' 0 CA--C 1.564 1.493 0 O-C-N 120.279 -1.513 . . . . 0.0 111.276 169.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.2 t 49.94 66.24 1.19 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 120.336 1.425 . . . . 0.0 114.747 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -145.52 155.87 53.19 Favored Pre-proline 0 CA--C 1.578 2.035 0 O-C-N 121.055 -1.028 . . . . 0.0 111.904 -154.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -48.54 -36.61 32.01 Favored 'Trans proline' 0 CA--C 1.569 2.251 0 N-CA-C 119.828 2.972 . . . . 0.0 119.828 165.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -81.5 -1.61 46.71 Favored 'General case' 0 CA--C 1.583 2.242 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 165.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.0 m -116.71 103.9 10.82 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 124.725 1.21 . . . . 0.0 111.18 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.15 -70.62 0.53 Allowed 'General case' 0 CA--C 1.569 1.706 0 O-C-N 121.05 -1.032 . . . . 0.0 112.249 165.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -126.09 81.75 2.02 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 121.968 0.89 . . . . 0.0 109.172 162.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -124.62 -56.47 1.59 Allowed 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 124.024 0.93 . . . . 0.0 111.676 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 124.575 2.131 . . . . 0.0 109.349 166.574 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t -93.12 -74.29 0.53 Allowed 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 119.754 1.161 . . . . 0.0 111.35 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t 54.42 63.73 2.06 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -150.54 162.08 28.47 Favored Pre-proline 0 CA--C 1.579 2.06 0 O-C-N 120.802 -1.186 . . . . 0.0 112.188 -146.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.78 -39.18 23.77 Favored 'Trans proline' 0 CA--C 1.569 2.259 0 N-CA-C 119.558 2.868 . . . . 0.0 119.558 162.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -84.61 8.92 15.12 Favored 'General case' 0 CA--C 1.583 2.233 0 N-CA-C 117.932 2.567 . . . . 0.0 117.932 166.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.7 m -136.77 99.03 3.93 Favored 'General case' 0 CA--C 1.569 1.684 0 O-C-N 120.458 -1.401 . . . . 0.0 112.988 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.8 -60.24 2.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.128 -0.982 . . . . 0.0 113.465 165.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -132.83 75.12 1.61 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.668 -1.27 . . . . 0.0 109.466 165.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -118.3 -69.98 0.82 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.114 -169.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 125.145 2.402 . . . . 0.0 111.392 167.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 CA--C 1.565 1.556 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.15 -78.24 0.41 Allowed 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 120.432 1.469 . . . . 0.0 111.767 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.6 t 52.36 73.1 0.36 Allowed 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 119.822 1.192 . . . . 0.0 114.12 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -150.18 156.8 37.59 Favored Pre-proline 0 CA--C 1.576 1.953 0 O-C-N 121.168 -0.957 . . . . 0.0 111.948 -158.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -45.68 -45.63 16.22 Favored 'Trans proline' 0 CA--C 1.567 2.142 0 N-CA-C 119.06 2.677 . . . . 0.0 119.06 159.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -68.17 -4.23 13.15 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 118.73 2.863 . . . . 0.0 118.73 166.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 92.7 m -122.08 103.48 8.83 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 124.792 1.237 . . . . 0.0 111.929 -175.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.83 -74.57 0.31 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.527 -1.358 . . . . 0.0 111.818 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -119.13 61.14 0.81 Allowed 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.801 0.81 . . . . 0.0 111.054 162.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.442 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 70.1 ttt180 -96.79 -66.97 0.87 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.652 -1.28 . . . . 0.0 112.39 -168.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 125.281 2.467 . . . . 0.0 109.567 174.47 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.2 t . . . . . 0 CA--C 1.565 1.534 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -87.53 -78.09 0.32 Allowed 'General case' 0 CA--C 1.566 1.591 0 CA-C-N 120.361 1.437 . . . . 0.0 109.617 158.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t 53.03 69.03 0.74 Allowed 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 171.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -159.37 160.3 28.31 Favored Pre-proline 0 CA--C 1.581 2.146 0 O-C-N 120.731 -1.231 . . . . 0.0 112.272 -145.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.58 -40.26 30.06 Favored 'Trans proline' 0 CA--C 1.571 2.364 0 N-CA-C 120.351 3.174 . . . . 0.0 120.351 166.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -73.16 -10.12 59.44 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 164.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.523 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 85.7 m -120.18 102.21 8.35 Favored 'General case' 0 CA--C 1.567 1.615 0 O-C-N 120.803 -1.185 . . . . 0.0 111.934 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.64 -63.3 1.42 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.0 112.952 169.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -127.06 61.09 1.36 Allowed 'General case' 0 CA--C 1.569 1.702 0 CA-C-O 121.861 0.839 . . . . 0.0 112.269 163.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 73.1 ttt180 -92.88 -70.31 0.7 Allowed 'General case' 0 CA--C 1.562 1.407 0 O-C-N 121.121 -0.987 . . . . 0.0 111.312 171.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 t . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 124.227 1.965 . . . . 0.0 109.223 -176.401 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.3 t . . . . . 0 CA--C 1.573 1.848 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.6 t -96.07 -76.32 0.51 Allowed 'General case' 0 CA--C 1.569 1.678 0 O-C-N 120.857 -1.152 . . . . 0.0 109.548 155.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.8 t 53.56 73.1 0.39 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 120.379 1.445 . . . . 0.0 114.457 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -152.87 153.82 30.44 Favored Pre-proline 0 CA--C 1.58 2.133 0 O-C-N 121.215 -0.928 . . . . 0.0 112.922 -153.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -48.95 -33.91 27.38 Favored 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.826 3.356 . . . . 0.0 120.826 166.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -78.3 -37.0 45.82 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 165.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.5 m -84.52 102.45 12.85 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 121.066 -1.021 . . . . 0.0 112.064 -177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.38 -72.49 0.41 Allowed 'General case' 0 CA--C 1.567 1.616 0 O-C-N 120.823 -1.173 . . . . 0.0 113.355 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -118.47 55.74 0.9 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 119.314 0.961 . . . . 0.0 112.118 166.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -101.44 -70.61 0.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.927 -1.108 . . . . 0.0 112.157 -167.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 124.637 2.161 . . . . 0.0 109.555 173.028 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 CA--C 1.566 1.567 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -102.96 -66.66 0.92 Allowed 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 124.181 0.992 . . . . 0.0 110.493 168.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 t 51.04 68.87 0.72 Allowed 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -152.55 161.11 30.14 Favored Pre-proline 0 CA--C 1.581 2.158 0 O-C-N 120.964 -1.085 . . . . 0.0 110.949 -151.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.9 -41.84 8.96 Favored 'Trans proline' 0 CA--C 1.574 2.498 0 N-CA-C 119.61 2.888 . . . . 0.0 119.61 158.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.475 ' HG3' ' SG ' ' A' ' 8' ' ' CYS . 18.9 ptt-85 -64.96 -24.27 67.47 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 118.305 2.705 . . . . 0.0 118.305 164.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.475 ' SG ' ' HG3' ' A' ' 7' ' ' ARG . 86.1 m -119.81 94.3 4.35 Favored 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 124.522 1.129 . . . . 0.0 112.748 -173.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.61 -56.12 3.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.962 -1.086 . . . . 0.0 113.646 165.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -128.05 72.99 1.44 Allowed 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 121.793 0.806 . . . . 0.0 110.312 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -140.46 -71.56 0.37 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.378 -0.826 . . . . 0.0 110.453 -163.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 124.78 2.228 . . . . 0.0 110.67 170.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.5 t . . . . . 0 CA--C 1.57 1.747 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 t -81.24 -64.46 1.18 Allowed 'General case' 0 CA--C 1.566 1.595 0 O-C-N 120.839 -1.163 . . . . 0.0 110.783 161.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t 54.5 62.37 2.59 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -150.66 162.02 28.51 Favored Pre-proline 0 CA--C 1.576 1.973 0 O-C-N 120.978 -1.076 . . . . 0.0 112.138 -149.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -46.38 -42.92 22.41 Favored 'Trans proline' 0 CA--C 1.575 2.531 0 N-CA-C 118.96 2.638 . . . . 0.0 118.96 159.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -64.87 -18.0 64.78 Favored 'General case' 0 CA--C 1.583 2.24 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 164.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.7 m -126.26 88.82 2.91 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 124.653 1.181 . . . . 0.0 112.105 -175.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.79 -68.87 0.56 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.798 -1.188 . . . . 0.0 113.927 172.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -120.37 85.33 2.37 Favored 'General case' 0 CA--C 1.565 1.522 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 163.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -141.36 -71.58 0.35 Allowed 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 123.675 0.79 . . . . 0.0 110.373 -171.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 124.341 2.019 . . . . 0.0 109.423 171.62 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.257 51.1 t . . . . . 0 CA--C 1.573 1.833 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -76.18 -60.46 2.32 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 120.72 1.6 . . . . 0.0 112.226 167.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t 53.9 64.87 1.68 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 171.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -144.98 160.47 46.4 Favored Pre-proline 0 CA--C 1.578 2.043 0 O-C-N 121.293 -0.879 . . . . 0.0 111.484 -151.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -47.38 -44.16 25.31 Favored 'Trans proline' 0 CA--C 1.573 2.426 0 N-CA-C 119.239 2.746 . . . . 0.0 119.239 162.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -64.94 -34.82 79.34 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 164.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.65 81.9 4.78 Favored 'General case' 0 CA--C 1.565 1.539 0 O-C-N 121.518 -0.739 . . . . 0.0 112.191 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.57 -57.72 3.75 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 169.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -128.78 50.45 2.12 Favored 'General case' 0 CA--C 1.576 1.946 0 CA-C-O 121.434 0.635 . . . . 0.0 112.63 159.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -95.36 -62.42 1.3 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.54 -1.35 . . . . 0.0 112.286 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 124.193 1.949 . . . . 0.0 108.971 166.764 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 CA--C 1.57 1.723 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.5 t -81.02 -61.73 1.87 Allowed 'General case' 0 CA--C 1.563 1.464 0 CA-C-N 120.127 1.331 . . . . 0.0 112.254 162.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 t 54.6 75.79 0.28 Allowed 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -155.74 155.41 29.47 Favored Pre-proline 0 CA--C 1.581 2.137 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -163.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -41.89 -56.77 1.78 Allowed 'Trans proline' 0 CA--C 1.572 2.412 0 C-N-CA 123.682 2.921 . . . . 0.0 119.59 159.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 ptt-85 -59.52 -19.79 50.72 Favored 'General case' 0 N--CA 1.508 2.448 0 N-CA-C 118.609 2.818 . . . . 0.0 118.609 168.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 83.2 m -95.72 90.39 5.66 Favored 'General case' 0 CA--C 1.571 1.77 0 O-C-N 121.225 -0.922 . . . . 0.0 110.687 169.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.35 -70.9 0.44 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 119.901 -1.749 . . . . 0.0 111.733 170.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -123.19 80.75 1.8 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 122.029 0.918 . . . . 0.0 108.94 163.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.473 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 69.9 ttt180 -131.32 -68.61 0.65 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.777 0.831 . . . . 0.0 110.047 -168.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 124.396 2.046 . . . . 0.0 110.33 170.074 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.567 1.603 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -78.76 -68.21 0.67 Allowed 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 120.583 1.538 . . . . 0.0 111.943 165.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 t 54.96 73.08 0.43 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -156.5 155.53 28.87 Favored Pre-proline 0 CA--C 1.579 2.085 0 O-C-N 120.82 -1.175 . . . . 0.0 111.923 -161.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.46 -45.29 19.48 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 N-CA-C 119.199 2.73 . . . . 0.0 119.199 162.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ptt-85 -57.87 -30.62 65.98 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 117.627 2.454 . . . . 0.0 117.627 164.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.67 93.05 6.51 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 124.256 1.023 . . . . 0.0 111.484 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.51 -66.52 0.87 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.799 -1.188 . . . . 0.0 111.714 165.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -120.28 67.51 0.84 Allowed 'General case' 0 CA--C 1.571 1.771 0 CA-C-N 119.011 0.823 . . . . 0.0 111.26 164.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -113.38 -73.07 0.68 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.452 -0.78 . . . . 0.0 111.333 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 124.58 2.134 . . . . 0.0 111.35 177.462 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 t . . . . . 0 CA--C 1.568 1.644 0 CA-C-O 119.216 -0.421 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -77.73 -62.28 1.72 Allowed 'General case' 0 CA--C 1.562 1.433 0 O-C-N 120.177 -1.577 . . . . 0.0 111.411 164.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t 52.18 62.36 2.74 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -146.6 156.0 48.89 Favored Pre-proline 0 CA--C 1.576 1.946 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.631 -155.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.03 -48.34 9.45 Favored 'Trans proline' 0 CA--C 1.569 2.26 0 N-CA-C 119.253 2.751 . . . . 0.0 119.253 162.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -58.2 -32.0 67.85 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 165.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.7 m -101.32 83.91 2.54 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.508 1.123 . . . . 0.0 112.841 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.88 -68.61 0.61 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.63 -1.294 . . . . 0.0 112.75 174.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -114.17 86.56 2.44 Favored 'General case' 0 CA--C 1.563 1.481 0 CA-C-N 119.134 0.879 . . . . 0.0 110.022 160.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -143.48 -78.83 0.22 Allowed 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.79 -170.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 124.634 2.159 . . . . 0.0 111.331 172.801 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 115.476 0.951 . . . . 0.0 115.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.7 t -71.2 -88.52 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.19 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.5 t -93.98 -70.97 0.68 Allowed 'General case' 0 CA--C 1.563 1.461 0 CA-C-N 120.33 1.423 . . . . 0.0 110.969 159.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 t 43.08 74.0 0.13 Allowed 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -155.65 153.76 26.84 Favored Pre-proline 0 CA--C 1.577 2.002 0 O-C-N 121.359 -0.838 . . . . 0.0 110.925 -155.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -43.33 -45.78 9.87 Favored 'Trans proline' 0 CA--C 1.571 2.37 0 N-CA-C 119.482 2.839 . . . . 0.0 119.482 166.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -64.48 -22.1 66.86 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 119.113 3.005 . . . . 0.0 119.113 167.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -101.15 119.06 38.2 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 119.562 1.074 . . . . 0.0 112.473 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.98 -73.82 0.64 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.046 -1.033 . . . . 0.0 110.971 165.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 42.0 t-105 -111.79 68.53 0.67 Allowed 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 119.895 1.225 . . . . 0.0 111.289 168.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -126.06 -59.27 1.34 Allowed 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.576 -170.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 124.689 2.185 . . . . 0.0 112.101 164.756 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.045 0 N-CA-C 115.626 1.01 . . . . 0.0 115.626 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -89.03 -100.25 0.09 Allowed 'General case' 0 CA--C 1.569 1.709 0 CA-C-O 118.837 -0.601 . . . . 0.0 110.939 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.8 t -78.2 -62.76 1.57 Allowed 'General case' 0 CA--C 1.565 1.557 0 CA-C-N 120.91 1.686 . . . . 0.0 112.496 167.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.6 t 50.45 66.53 1.13 Allowed 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -146.1 154.11 49.95 Favored Pre-proline 0 CA--C 1.577 1.994 0 O-C-N 120.828 -1.17 . . . . 0.0 111.991 -158.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.25 -39.69 34.84 Favored 'Trans proline' 0 CA--C 1.571 2.332 0 N-CA-C 119.332 2.782 . . . . 0.0 119.332 164.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -63.68 -39.54 94.58 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 163.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.2 m -92.36 86.91 5.83 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 124.32 1.048 . . . . 0.0 112.609 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.57 -73.07 0.34 Allowed 'General case' 0 CA--C 1.565 1.531 0 O-C-N 121.114 -0.991 . . . . 0.0 112.751 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -112.51 81.32 1.46 Allowed 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 122.011 0.91 . . . . 0.0 109.506 158.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -131.54 -79.64 0.52 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.842 0.857 . . . . 0.0 109.727 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 124.459 2.076 . . . . 0.0 110.333 177.328 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.006 0 N-CA-C 114.035 0.374 . . . . 0.0 114.035 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.7 t -75.95 -66.36 0.8 Allowed 'General case' 0 CA--C 1.571 1.786 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.6 t -98.81 -79.39 0.48 Allowed 'General case' 0 CA--C 1.569 1.696 0 CA-C-N 119.176 0.898 . . . . 0.0 110.161 163.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.8 t 52.13 79.32 0.11 Allowed 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -168.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -144.63 152.87 53.92 Favored Pre-proline 0 CA--C 1.577 2.012 0 C-N-CA 124.074 0.95 . . . . 0.0 111.397 -161.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -36.33 -48.0 1.23 Allowed 'Trans proline' 0 CA--C 1.571 2.349 0 N-CA-C 120.16 3.1 . . . . 0.0 120.16 156.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -69.43 -39.53 77.78 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 169.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.9 m -77.37 95.35 4.39 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -175.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.83 -59.89 2.43 Favored 'General case' 0 CA--C 1.565 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 113.325 167.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -136.55 83.38 2.0 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.376 -0.828 . . . . 0.0 109.017 162.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -126.71 -66.58 0.9 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.157 0.983 . . . . 0.0 110.625 -171.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 124.668 2.175 . . . . 0.0 110.013 169.344 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 114.151 0.42 . . . . 0.0 114.151 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.81 -88.85 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.799 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.37 -74.2 0.36 Allowed 'General case' 0 CA--C 1.564 1.493 0 O-C-N 120.279 -1.513 . . . . 0.0 111.276 169.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.2 t 49.94 66.24 1.19 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 120.336 1.425 . . . . 0.0 114.747 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -145.52 155.87 53.19 Favored Pre-proline 0 CA--C 1.578 2.035 0 O-C-N 121.055 -1.028 . . . . 0.0 111.904 -154.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -48.54 -36.61 32.01 Favored 'Trans proline' 0 CA--C 1.569 2.251 0 N-CA-C 119.828 2.972 . . . . 0.0 119.828 165.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -81.5 -1.61 46.71 Favored 'General case' 0 CA--C 1.583 2.242 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 165.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.0 m -116.71 103.9 10.82 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 124.725 1.21 . . . . 0.0 111.18 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.15 -70.62 0.53 Allowed 'General case' 0 CA--C 1.569 1.706 0 O-C-N 121.05 -1.032 . . . . 0.0 112.249 165.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -126.09 81.75 2.02 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 121.968 0.89 . . . . 0.0 109.172 162.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -124.62 -56.47 1.59 Allowed 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 124.024 0.93 . . . . 0.0 111.676 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 124.575 2.131 . . . . 0.0 109.349 166.574 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 114.501 0.561 . . . . 0.0 114.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.9 -83.15 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t -93.12 -74.29 0.53 Allowed 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 119.754 1.161 . . . . 0.0 111.35 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t 54.42 63.73 2.06 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -150.54 162.08 28.47 Favored Pre-proline 0 CA--C 1.579 2.06 0 O-C-N 120.802 -1.186 . . . . 0.0 112.188 -146.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.78 -39.18 23.77 Favored 'Trans proline' 0 CA--C 1.569 2.259 0 N-CA-C 119.558 2.868 . . . . 0.0 119.558 162.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -84.61 8.92 15.12 Favored 'General case' 0 CA--C 1.583 2.233 0 N-CA-C 117.932 2.567 . . . . 0.0 117.932 166.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.7 m -136.77 99.03 3.93 Favored 'General case' 0 CA--C 1.569 1.684 0 O-C-N 120.458 -1.401 . . . . 0.0 112.988 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.8 -60.24 2.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.128 -0.982 . . . . 0.0 113.465 165.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -132.83 75.12 1.61 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.668 -1.27 . . . . 0.0 109.466 165.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -118.3 -69.98 0.82 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.114 -169.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 125.145 2.402 . . . . 0.0 111.392 167.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 114.797 0.679 . . . . 0.0 114.797 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.4 t -108.71 -83.42 0.55 Allowed 'General case' 0 CA--C 1.565 1.556 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.966 172.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.15 -78.24 0.41 Allowed 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 120.432 1.469 . . . . 0.0 111.767 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.6 t 52.36 73.1 0.36 Allowed 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 119.822 1.192 . . . . 0.0 114.12 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -150.18 156.8 37.59 Favored Pre-proline 0 CA--C 1.576 1.953 0 O-C-N 121.168 -0.957 . . . . 0.0 111.948 -158.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -45.68 -45.63 16.22 Favored 'Trans proline' 0 CA--C 1.567 2.142 0 N-CA-C 119.06 2.677 . . . . 0.0 119.06 159.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -68.17 -4.23 13.15 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 118.73 2.863 . . . . 0.0 118.73 166.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 92.7 m -122.08 103.48 8.83 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 124.792 1.237 . . . . 0.0 111.929 -175.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.83 -74.57 0.31 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.527 -1.358 . . . . 0.0 111.818 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -119.13 61.14 0.81 Allowed 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.801 0.81 . . . . 0.0 111.054 162.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.442 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 70.1 ttt180 -96.79 -66.97 0.87 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.652 -1.28 . . . . 0.0 112.39 -168.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 125.281 2.467 . . . . 0.0 109.567 174.47 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.2 t -99.44 -88.8 0.33 Allowed 'General case' 0 CA--C 1.565 1.534 0 C-N-CA 123.948 0.899 . . . . 0.0 111.555 -172.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -87.53 -78.09 0.32 Allowed 'General case' 0 CA--C 1.566 1.591 0 CA-C-N 120.361 1.437 . . . . 0.0 109.617 158.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t 53.03 69.03 0.74 Allowed 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 171.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -159.37 160.3 28.31 Favored Pre-proline 0 CA--C 1.581 2.146 0 O-C-N 120.731 -1.231 . . . . 0.0 112.272 -145.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.58 -40.26 30.06 Favored 'Trans proline' 0 CA--C 1.571 2.364 0 N-CA-C 120.351 3.174 . . . . 0.0 120.351 166.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -73.16 -10.12 59.44 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 164.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.523 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 85.7 m -120.18 102.21 8.35 Favored 'General case' 0 CA--C 1.567 1.615 0 O-C-N 120.803 -1.185 . . . . 0.0 111.934 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.64 -63.3 1.42 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.0 112.952 169.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -127.06 61.09 1.36 Allowed 'General case' 0 CA--C 1.569 1.702 0 CA-C-O 121.861 0.839 . . . . 0.0 112.269 163.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 73.1 ttt180 -92.88 -70.31 0.7 Allowed 'General case' 0 CA--C 1.562 1.407 0 O-C-N 121.121 -0.987 . . . . 0.0 111.312 171.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 t . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 124.227 1.965 . . . . 0.0 109.223 -176.401 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.993 0 N-CA-C 116.591 1.397 . . . . 0.0 116.591 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.43 -81.56 0.07 Allowed 'General case' 0 CA--C 1.573 1.848 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.6 t -96.07 -76.32 0.51 Allowed 'General case' 0 CA--C 1.569 1.678 0 O-C-N 120.857 -1.152 . . . . 0.0 109.548 155.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.8 t 53.56 73.1 0.39 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 120.379 1.445 . . . . 0.0 114.457 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -152.87 153.82 30.44 Favored Pre-proline 0 CA--C 1.58 2.133 0 O-C-N 121.215 -0.928 . . . . 0.0 112.922 -153.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -48.95 -33.91 27.38 Favored 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.826 3.356 . . . . 0.0 120.826 166.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -78.3 -37.0 45.82 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 165.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.5 m -84.52 102.45 12.85 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 121.066 -1.021 . . . . 0.0 112.064 -177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.38 -72.49 0.41 Allowed 'General case' 0 CA--C 1.567 1.616 0 O-C-N 120.823 -1.173 . . . . 0.0 113.355 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -118.47 55.74 0.9 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 119.314 0.961 . . . . 0.0 112.118 166.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -101.44 -70.61 0.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.927 -1.108 . . . . 0.0 112.157 -167.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 124.637 2.161 . . . . 0.0 109.555 173.028 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 CA-C-O 122.849 1.249 . . . . 0.0 116.181 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -89.55 -73.91 0.5 Allowed 'General case' 0 CA--C 1.566 1.567 0 O-C-N 122.106 -0.643 . . . . 0.0 111.933 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -102.96 -66.66 0.92 Allowed 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 124.181 0.992 . . . . 0.0 110.493 168.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 t 51.04 68.87 0.72 Allowed 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -152.55 161.11 30.14 Favored Pre-proline 0 CA--C 1.581 2.158 0 O-C-N 120.964 -1.085 . . . . 0.0 110.949 -151.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.9 -41.84 8.96 Favored 'Trans proline' 0 CA--C 1.574 2.498 0 N-CA-C 119.61 2.888 . . . . 0.0 119.61 158.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.475 ' HG3' ' SG ' ' A' ' 8' ' ' CYS . 18.9 ptt-85 -64.96 -24.27 67.47 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 118.305 2.705 . . . . 0.0 118.305 164.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.475 ' SG ' ' HG3' ' A' ' 7' ' ' ARG . 86.1 m -119.81 94.3 4.35 Favored 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 124.522 1.129 . . . . 0.0 112.748 -173.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.61 -56.12 3.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.962 -1.086 . . . . 0.0 113.646 165.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -128.05 72.99 1.44 Allowed 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 121.793 0.806 . . . . 0.0 110.312 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -140.46 -71.56 0.37 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.378 -0.826 . . . . 0.0 110.453 -163.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 124.78 2.228 . . . . 0.0 110.67 170.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.092 0 N-CA-C 114.267 0.467 . . . . 0.0 114.267 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.5 t -73.49 -94.72 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.747 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -174.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 t -81.24 -64.46 1.18 Allowed 'General case' 0 CA--C 1.566 1.595 0 O-C-N 120.839 -1.163 . . . . 0.0 110.783 161.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t 54.5 62.37 2.59 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -150.66 162.02 28.51 Favored Pre-proline 0 CA--C 1.576 1.973 0 O-C-N 120.978 -1.076 . . . . 0.0 112.138 -149.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -46.38 -42.92 22.41 Favored 'Trans proline' 0 CA--C 1.575 2.531 0 N-CA-C 118.96 2.638 . . . . 0.0 118.96 159.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -64.87 -18.0 64.78 Favored 'General case' 0 CA--C 1.583 2.24 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 164.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.7 m -126.26 88.82 2.91 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 124.653 1.181 . . . . 0.0 112.105 -175.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.79 -68.87 0.56 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.798 -1.188 . . . . 0.0 113.927 172.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -120.37 85.33 2.37 Favored 'General case' 0 CA--C 1.565 1.522 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 163.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -141.36 -71.58 0.35 Allowed 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 123.675 0.79 . . . . 0.0 110.373 -171.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 124.341 2.019 . . . . 0.0 109.423 171.62 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 114.44 0.536 . . . . 0.0 114.44 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.257 51.1 t -74.32 -104.31 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -163.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -76.18 -60.46 2.32 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 120.72 1.6 . . . . 0.0 112.226 167.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t 53.9 64.87 1.68 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 171.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -144.98 160.47 46.4 Favored Pre-proline 0 CA--C 1.578 2.043 0 O-C-N 121.293 -0.879 . . . . 0.0 111.484 -151.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -47.38 -44.16 25.31 Favored 'Trans proline' 0 CA--C 1.573 2.426 0 N-CA-C 119.239 2.746 . . . . 0.0 119.239 162.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -64.94 -34.82 79.34 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 164.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.65 81.9 4.78 Favored 'General case' 0 CA--C 1.565 1.539 0 O-C-N 121.518 -0.739 . . . . 0.0 112.191 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.57 -57.72 3.75 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 169.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -128.78 50.45 2.12 Favored 'General case' 0 CA--C 1.576 1.946 0 CA-C-O 121.434 0.635 . . . . 0.0 112.63 159.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -95.36 -62.42 1.3 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.54 -1.35 . . . . 0.0 112.286 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 124.193 1.949 . . . . 0.0 108.971 166.764 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.036 0 N-CA-C 113.969 0.348 . . . . 0.0 113.969 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.42 -89.74 0.15 Allowed 'General case' 0 CA--C 1.57 1.723 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.603 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.5 t -81.02 -61.73 1.87 Allowed 'General case' 0 CA--C 1.563 1.464 0 CA-C-N 120.127 1.331 . . . . 0.0 112.254 162.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 t 54.6 75.79 0.28 Allowed 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -155.74 155.41 29.47 Favored Pre-proline 0 CA--C 1.581 2.137 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -163.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -41.89 -56.77 1.78 Allowed 'Trans proline' 0 CA--C 1.572 2.412 0 C-N-CA 123.682 2.921 . . . . 0.0 119.59 159.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 ptt-85 -59.52 -19.79 50.72 Favored 'General case' 0 N--CA 1.508 2.448 0 N-CA-C 118.609 2.818 . . . . 0.0 118.609 168.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.473 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 83.2 m -95.72 90.39 5.66 Favored 'General case' 0 CA--C 1.571 1.77 0 O-C-N 121.225 -0.922 . . . . 0.0 110.687 169.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.35 -70.9 0.44 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 119.901 -1.749 . . . . 0.0 111.733 170.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -123.19 80.75 1.8 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 122.029 0.918 . . . . 0.0 108.94 163.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.473 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 69.9 ttt180 -131.32 -68.61 0.65 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.777 0.831 . . . . 0.0 110.047 -168.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 124.396 2.046 . . . . 0.0 110.33 170.074 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 CA-C-O 120.656 0.031 . . . . 0.0 113.121 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.9 t -95.05 -87.61 0.27 Allowed 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 123.663 0.785 . . . . 0.0 110.645 173.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -78.76 -68.21 0.67 Allowed 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 120.583 1.538 . . . . 0.0 111.943 165.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 t 54.96 73.08 0.43 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -156.5 155.53 28.87 Favored Pre-proline 0 CA--C 1.579 2.085 0 O-C-N 120.82 -1.175 . . . . 0.0 111.923 -161.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.46 -45.29 19.48 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 N-CA-C 119.199 2.73 . . . . 0.0 119.199 162.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ptt-85 -57.87 -30.62 65.98 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 117.627 2.454 . . . . 0.0 117.627 164.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.67 93.05 6.51 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 124.256 1.023 . . . . 0.0 111.484 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.51 -66.52 0.87 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.799 -1.188 . . . . 0.0 111.714 165.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -120.28 67.51 0.84 Allowed 'General case' 0 CA--C 1.571 1.771 0 CA-C-N 119.011 0.823 . . . . 0.0 111.26 164.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -113.38 -73.07 0.68 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.452 -0.78 . . . . 0.0 111.333 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 124.58 2.134 . . . . 0.0 111.35 177.462 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.06 0 N-CA-C 115.816 1.086 . . . . 0.0 115.816 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 t -83.07 -92.99 0.07 Allowed 'General case' 0 CA--C 1.568 1.644 0 C-N-CA 123.328 0.651 . . . . 0.0 112.103 -174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -77.73 -62.28 1.72 Allowed 'General case' 0 CA--C 1.562 1.433 0 O-C-N 120.177 -1.577 . . . . 0.0 111.411 164.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t 52.18 62.36 2.74 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -146.6 156.0 48.89 Favored Pre-proline 0 CA--C 1.576 1.946 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.631 -155.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.03 -48.34 9.45 Favored 'Trans proline' 0 CA--C 1.569 2.26 0 N-CA-C 119.253 2.751 . . . . 0.0 119.253 162.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -58.2 -32.0 67.85 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 165.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.7 m -101.32 83.91 2.54 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.508 1.123 . . . . 0.0 112.841 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.88 -68.61 0.61 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.63 -1.294 . . . . 0.0 112.75 174.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -114.17 86.56 2.44 Favored 'General case' 0 CA--C 1.563 1.481 0 CA-C-N 119.134 0.879 . . . . 0.0 110.022 160.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -143.48 -78.83 0.22 Allowed 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.79 -170.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 124.634 2.159 . . . . 0.0 111.331 172.801 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 CA--C 1.571 1.771 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.5 t -93.98 -70.97 0.68 Allowed 'General case' 0 CA--C 1.563 1.461 0 CA-C-N 120.33 1.423 . . . . 0.0 110.969 159.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 t 43.08 74.0 0.13 Allowed 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -155.65 153.76 26.84 Favored Pre-proline 0 CA--C 1.577 2.002 0 O-C-N 121.359 -0.838 . . . . 0.0 110.925 -155.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -43.33 -45.78 9.87 Favored 'Trans proline' 0 CA--C 1.571 2.37 0 N-CA-C 119.482 2.839 . . . . 0.0 119.482 166.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -64.48 -22.1 66.86 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 119.113 3.005 . . . . 0.0 119.113 167.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -101.15 119.06 38.2 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 119.562 1.074 . . . . 0.0 112.473 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.98 -73.82 0.64 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.046 -1.033 . . . . 0.0 110.971 165.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 42.0 t-105 -111.79 68.53 0.67 Allowed 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 119.895 1.225 . . . . 0.0 111.289 168.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -126.06 -59.27 1.34 Allowed 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.576 -170.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 124.689 2.185 . . . . 0.0 112.101 164.756 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.569 1.709 0 CA-C-O 118.837 -0.601 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.8 t -78.2 -62.76 1.57 Allowed 'General case' 0 CA--C 1.565 1.557 0 CA-C-N 120.91 1.686 . . . . 0.0 112.496 167.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.6 t 50.45 66.53 1.13 Allowed 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -146.1 154.11 49.95 Favored Pre-proline 0 CA--C 1.577 1.994 0 O-C-N 120.828 -1.17 . . . . 0.0 111.991 -158.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.25 -39.69 34.84 Favored 'Trans proline' 0 CA--C 1.571 2.332 0 N-CA-C 119.332 2.782 . . . . 0.0 119.332 164.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -63.68 -39.54 94.58 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 163.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.2 m -92.36 86.91 5.83 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 124.32 1.048 . . . . 0.0 112.609 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.57 -73.07 0.34 Allowed 'General case' 0 CA--C 1.565 1.531 0 O-C-N 121.114 -0.991 . . . . 0.0 112.751 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -112.51 81.32 1.46 Allowed 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 122.011 0.91 . . . . 0.0 109.506 158.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -131.54 -79.64 0.52 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.842 0.857 . . . . 0.0 109.727 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 124.459 2.076 . . . . 0.0 110.333 177.328 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 CA--C 1.571 1.786 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.6 t -98.81 -79.39 0.48 Allowed 'General case' 0 CA--C 1.569 1.696 0 CA-C-N 119.176 0.898 . . . . 0.0 110.161 163.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.8 t 52.13 79.32 0.11 Allowed 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -168.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -144.63 152.87 53.92 Favored Pre-proline 0 CA--C 1.577 2.012 0 C-N-CA 124.074 0.95 . . . . 0.0 111.397 -161.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -36.33 -48.0 1.23 Allowed 'Trans proline' 0 CA--C 1.571 2.349 0 N-CA-C 120.16 3.1 . . . . 0.0 120.16 156.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -69.43 -39.53 77.78 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 169.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.9 m -77.37 95.35 4.39 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -175.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.83 -59.89 2.43 Favored 'General case' 0 CA--C 1.565 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 113.325 167.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -136.55 83.38 2.0 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.376 -0.828 . . . . 0.0 109.017 162.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -126.71 -66.58 0.9 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.157 0.983 . . . . 0.0 110.625 -171.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 124.668 2.175 . . . . 0.0 110.013 169.344 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.4 t . . . . . 0 CA--C 1.572 1.799 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.37 -74.2 0.36 Allowed 'General case' 0 CA--C 1.564 1.493 0 O-C-N 120.279 -1.513 . . . . 0.0 111.276 169.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.2 t 49.94 66.24 1.19 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 120.336 1.425 . . . . 0.0 114.747 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -145.52 155.87 53.19 Favored Pre-proline 0 CA--C 1.578 2.035 0 O-C-N 121.055 -1.028 . . . . 0.0 111.904 -154.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -48.54 -36.61 32.01 Favored 'Trans proline' 0 CA--C 1.569 2.251 0 N-CA-C 119.828 2.972 . . . . 0.0 119.828 165.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -81.5 -1.61 46.71 Favored 'General case' 0 CA--C 1.583 2.242 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 165.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.0 m -116.71 103.9 10.82 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 124.725 1.21 . . . . 0.0 111.18 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.15 -70.62 0.53 Allowed 'General case' 0 CA--C 1.569 1.706 0 O-C-N 121.05 -1.032 . . . . 0.0 112.249 165.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -126.09 81.75 2.02 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 121.968 0.89 . . . . 0.0 109.172 162.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -124.62 -56.47 1.59 Allowed 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 124.024 0.93 . . . . 0.0 111.676 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 124.575 2.131 . . . . 0.0 109.349 166.574 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t -93.12 -74.29 0.53 Allowed 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 119.754 1.161 . . . . 0.0 111.35 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t 54.42 63.73 2.06 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -150.54 162.08 28.47 Favored Pre-proline 0 CA--C 1.579 2.06 0 O-C-N 120.802 -1.186 . . . . 0.0 112.188 -146.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.78 -39.18 23.77 Favored 'Trans proline' 0 CA--C 1.569 2.259 0 N-CA-C 119.558 2.868 . . . . 0.0 119.558 162.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -84.61 8.92 15.12 Favored 'General case' 0 CA--C 1.583 2.233 0 N-CA-C 117.932 2.567 . . . . 0.0 117.932 166.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.7 m -136.77 99.03 3.93 Favored 'General case' 0 CA--C 1.569 1.684 0 O-C-N 120.458 -1.401 . . . . 0.0 112.988 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.8 -60.24 2.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.128 -0.982 . . . . 0.0 113.465 165.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -132.83 75.12 1.61 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.668 -1.27 . . . . 0.0 109.466 165.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -118.3 -69.98 0.82 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.114 -169.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 125.145 2.402 . . . . 0.0 111.392 167.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 CA--C 1.565 1.556 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.15 -78.24 0.41 Allowed 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 120.432 1.469 . . . . 0.0 111.767 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.6 t 52.36 73.1 0.36 Allowed 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 119.822 1.192 . . . . 0.0 114.12 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -150.18 156.8 37.59 Favored Pre-proline 0 CA--C 1.576 1.953 0 O-C-N 121.168 -0.957 . . . . 0.0 111.948 -158.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -45.68 -45.63 16.22 Favored 'Trans proline' 0 CA--C 1.567 2.142 0 N-CA-C 119.06 2.677 . . . . 0.0 119.06 159.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -68.17 -4.23 13.15 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 118.73 2.863 . . . . 0.0 118.73 166.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 92.7 m -122.08 103.48 8.83 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 124.792 1.237 . . . . 0.0 111.929 -175.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.83 -74.57 0.31 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.527 -1.358 . . . . 0.0 111.818 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -119.13 61.14 0.81 Allowed 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.801 0.81 . . . . 0.0 111.054 162.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 70.1 ttt180 -96.79 -66.97 0.87 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.652 -1.28 . . . . 0.0 112.39 -168.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 125.281 2.467 . . . . 0.0 109.567 174.47 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.2 t . . . . . 0 CA--C 1.565 1.534 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -87.53 -78.09 0.32 Allowed 'General case' 0 CA--C 1.566 1.591 0 CA-C-N 120.361 1.437 . . . . 0.0 109.617 158.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t 53.03 69.03 0.74 Allowed 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 171.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -159.37 160.3 28.31 Favored Pre-proline 0 CA--C 1.581 2.146 0 O-C-N 120.731 -1.231 . . . . 0.0 112.272 -145.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.58 -40.26 30.06 Favored 'Trans proline' 0 CA--C 1.571 2.364 0 N-CA-C 120.351 3.174 . . . . 0.0 120.351 166.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -73.16 -10.12 59.44 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 164.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 85.7 m -120.18 102.21 8.35 Favored 'General case' 0 CA--C 1.567 1.615 0 O-C-N 120.803 -1.185 . . . . 0.0 111.934 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.64 -63.3 1.42 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.0 112.952 169.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -127.06 61.09 1.36 Allowed 'General case' 0 CA--C 1.569 1.702 0 CA-C-O 121.861 0.839 . . . . 0.0 112.269 163.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.51 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 73.1 ttt180 -92.88 -70.31 0.7 Allowed 'General case' 0 CA--C 1.562 1.407 0 O-C-N 121.121 -0.987 . . . . 0.0 111.312 171.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 t . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 124.227 1.965 . . . . 0.0 109.223 -176.401 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.3 t . . . . . 0 CA--C 1.573 1.848 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.6 t -96.07 -76.32 0.51 Allowed 'General case' 0 CA--C 1.569 1.678 0 O-C-N 120.857 -1.152 . . . . 0.0 109.548 155.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.8 t 53.56 73.1 0.39 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 120.379 1.445 . . . . 0.0 114.457 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -152.87 153.82 30.44 Favored Pre-proline 0 CA--C 1.58 2.133 0 O-C-N 121.215 -0.928 . . . . 0.0 112.922 -153.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -48.95 -33.91 27.38 Favored 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.826 3.356 . . . . 0.0 120.826 166.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -78.3 -37.0 45.82 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 165.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.5 m -84.52 102.45 12.85 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 121.066 -1.021 . . . . 0.0 112.064 -177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.38 -72.49 0.41 Allowed 'General case' 0 CA--C 1.567 1.616 0 O-C-N 120.823 -1.173 . . . . 0.0 113.355 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -118.47 55.74 0.9 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 119.314 0.961 . . . . 0.0 112.118 166.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -101.44 -70.61 0.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.927 -1.108 . . . . 0.0 112.157 -167.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 124.637 2.161 . . . . 0.0 109.555 173.028 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 CA--C 1.566 1.567 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -102.96 -66.66 0.92 Allowed 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 124.181 0.992 . . . . 0.0 110.493 168.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 t 51.04 68.87 0.72 Allowed 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -152.55 161.11 30.14 Favored Pre-proline 0 CA--C 1.581 2.158 0 O-C-N 120.964 -1.085 . . . . 0.0 110.949 -151.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.9 -41.84 8.96 Favored 'Trans proline' 0 CA--C 1.574 2.498 0 N-CA-C 119.61 2.888 . . . . 0.0 119.61 158.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HG3' ' SG ' ' A' ' 8' ' ' CYS . 18.9 ptt-85 -64.96 -24.27 67.47 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 118.305 2.705 . . . . 0.0 118.305 164.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' SG ' ' HG3' ' A' ' 7' ' ' ARG . 86.1 m -119.81 94.3 4.35 Favored 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 124.522 1.129 . . . . 0.0 112.748 -173.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.61 -56.12 3.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.962 -1.086 . . . . 0.0 113.646 165.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -128.05 72.99 1.44 Allowed 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 121.793 0.806 . . . . 0.0 110.312 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -140.46 -71.56 0.37 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.378 -0.826 . . . . 0.0 110.453 -163.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 124.78 2.228 . . . . 0.0 110.67 170.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.5 t . . . . . 0 CA--C 1.57 1.747 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 t -81.24 -64.46 1.18 Allowed 'General case' 0 CA--C 1.566 1.595 0 O-C-N 120.839 -1.163 . . . . 0.0 110.783 161.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t 54.5 62.37 2.59 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -150.66 162.02 28.51 Favored Pre-proline 0 CA--C 1.576 1.973 0 O-C-N 120.978 -1.076 . . . . 0.0 112.138 -149.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -46.38 -42.92 22.41 Favored 'Trans proline' 0 CA--C 1.575 2.531 0 N-CA-C 118.96 2.638 . . . . 0.0 118.96 159.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -64.87 -18.0 64.78 Favored 'General case' 0 CA--C 1.583 2.24 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 164.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.7 m -126.26 88.82 2.91 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 124.653 1.181 . . . . 0.0 112.105 -175.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.79 -68.87 0.56 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.798 -1.188 . . . . 0.0 113.927 172.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -120.37 85.33 2.37 Favored 'General case' 0 CA--C 1.565 1.522 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 163.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -141.36 -71.58 0.35 Allowed 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 123.675 0.79 . . . . 0.0 110.373 -171.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 124.341 2.019 . . . . 0.0 109.423 171.62 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.257 51.1 t . . . . . 0 CA--C 1.573 1.833 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -76.18 -60.46 2.32 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 120.72 1.6 . . . . 0.0 112.226 167.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t 53.9 64.87 1.68 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 171.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -144.98 160.47 46.4 Favored Pre-proline 0 CA--C 1.578 2.043 0 O-C-N 121.293 -0.879 . . . . 0.0 111.484 -151.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -47.38 -44.16 25.31 Favored 'Trans proline' 0 CA--C 1.573 2.426 0 N-CA-C 119.239 2.746 . . . . 0.0 119.239 162.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -64.94 -34.82 79.34 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 164.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.65 81.9 4.78 Favored 'General case' 0 CA--C 1.565 1.539 0 O-C-N 121.518 -0.739 . . . . 0.0 112.191 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.57 -57.72 3.75 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 169.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -128.78 50.45 2.12 Favored 'General case' 0 CA--C 1.576 1.946 0 CA-C-O 121.434 0.635 . . . . 0.0 112.63 159.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -95.36 -62.42 1.3 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.54 -1.35 . . . . 0.0 112.286 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 124.193 1.949 . . . . 0.0 108.971 166.764 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 CA--C 1.57 1.723 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.5 t -81.02 -61.73 1.87 Allowed 'General case' 0 CA--C 1.563 1.464 0 CA-C-N 120.127 1.331 . . . . 0.0 112.254 162.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 t 54.6 75.79 0.28 Allowed 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -155.74 155.41 29.47 Favored Pre-proline 0 CA--C 1.581 2.137 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -163.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -41.89 -56.77 1.78 Allowed 'Trans proline' 0 CA--C 1.572 2.412 0 C-N-CA 123.682 2.921 . . . . 0.0 119.59 159.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 ptt-85 -59.52 -19.79 50.72 Favored 'General case' 0 N--CA 1.508 2.448 0 N-CA-C 118.609 2.818 . . . . 0.0 118.609 168.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 83.2 m -95.72 90.39 5.66 Favored 'General case' 0 CA--C 1.571 1.77 0 O-C-N 121.225 -0.922 . . . . 0.0 110.687 169.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.35 -70.9 0.44 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 119.901 -1.749 . . . . 0.0 111.733 170.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -123.19 80.75 1.8 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 122.029 0.918 . . . . 0.0 108.94 163.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 69.9 ttt180 -131.32 -68.61 0.65 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.777 0.831 . . . . 0.0 110.047 -168.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 124.396 2.046 . . . . 0.0 110.33 170.074 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.567 1.603 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -78.76 -68.21 0.67 Allowed 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 120.583 1.538 . . . . 0.0 111.943 165.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 t 54.96 73.08 0.43 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -156.5 155.53 28.87 Favored Pre-proline 0 CA--C 1.579 2.085 0 O-C-N 120.82 -1.175 . . . . 0.0 111.923 -161.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.46 -45.29 19.48 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 N-CA-C 119.199 2.73 . . . . 0.0 119.199 162.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ptt-85 -57.87 -30.62 65.98 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 117.627 2.454 . . . . 0.0 117.627 164.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.67 93.05 6.51 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 124.256 1.023 . . . . 0.0 111.484 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.51 -66.52 0.87 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.799 -1.188 . . . . 0.0 111.714 165.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -120.28 67.51 0.84 Allowed 'General case' 0 CA--C 1.571 1.771 0 CA-C-N 119.011 0.823 . . . . 0.0 111.26 164.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -113.38 -73.07 0.68 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.452 -0.78 . . . . 0.0 111.333 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 124.58 2.134 . . . . 0.0 111.35 177.462 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 t . . . . . 0 CA--C 1.568 1.644 0 CA-C-O 119.216 -0.421 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -77.73 -62.28 1.72 Allowed 'General case' 0 CA--C 1.562 1.433 0 O-C-N 120.177 -1.577 . . . . 0.0 111.411 164.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t 52.18 62.36 2.74 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -146.6 156.0 48.89 Favored Pre-proline 0 CA--C 1.576 1.946 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.631 -155.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.03 -48.34 9.45 Favored 'Trans proline' 0 CA--C 1.569 2.26 0 N-CA-C 119.253 2.751 . . . . 0.0 119.253 162.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -58.2 -32.0 67.85 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 165.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.7 m -101.32 83.91 2.54 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.508 1.123 . . . . 0.0 112.841 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.88 -68.61 0.61 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.63 -1.294 . . . . 0.0 112.75 174.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -114.17 86.56 2.44 Favored 'General case' 0 CA--C 1.563 1.481 0 CA-C-N 119.134 0.879 . . . . 0.0 110.022 160.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -143.48 -78.83 0.22 Allowed 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.79 -170.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 124.634 2.159 . . . . 0.0 111.331 172.801 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 115.476 0.951 . . . . 0.0 115.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.7 t -71.2 -88.52 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.19 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.5 t -93.98 -70.97 0.68 Allowed 'General case' 0 CA--C 1.563 1.461 0 CA-C-N 120.33 1.423 . . . . 0.0 110.969 159.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 t 43.08 74.0 0.13 Allowed 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -155.65 153.76 26.84 Favored Pre-proline 0 CA--C 1.577 2.002 0 O-C-N 121.359 -0.838 . . . . 0.0 110.925 -155.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -43.33 -45.78 9.87 Favored 'Trans proline' 0 CA--C 1.571 2.37 0 N-CA-C 119.482 2.839 . . . . 0.0 119.482 166.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -64.48 -22.1 66.86 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 119.113 3.005 . . . . 0.0 119.113 167.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -101.15 119.06 38.2 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 119.562 1.074 . . . . 0.0 112.473 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.98 -73.82 0.64 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.046 -1.033 . . . . 0.0 110.971 165.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 42.0 t-105 -111.79 68.53 0.67 Allowed 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 119.895 1.225 . . . . 0.0 111.289 168.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -126.06 -59.27 1.34 Allowed 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.576 -170.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 124.689 2.185 . . . . 0.0 112.101 164.756 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.045 0 N-CA-C 115.626 1.01 . . . . 0.0 115.626 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -89.03 -100.25 0.09 Allowed 'General case' 0 CA--C 1.569 1.709 0 CA-C-O 118.837 -0.601 . . . . 0.0 110.939 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.8 t -78.2 -62.76 1.57 Allowed 'General case' 0 CA--C 1.565 1.557 0 CA-C-N 120.91 1.686 . . . . 0.0 112.496 167.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.6 t 50.45 66.53 1.13 Allowed 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -146.1 154.11 49.95 Favored Pre-proline 0 CA--C 1.577 1.994 0 O-C-N 120.828 -1.17 . . . . 0.0 111.991 -158.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.25 -39.69 34.84 Favored 'Trans proline' 0 CA--C 1.571 2.332 0 N-CA-C 119.332 2.782 . . . . 0.0 119.332 164.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -63.68 -39.54 94.58 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 163.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.2 m -92.36 86.91 5.83 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 124.32 1.048 . . . . 0.0 112.609 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.57 -73.07 0.34 Allowed 'General case' 0 CA--C 1.565 1.531 0 O-C-N 121.114 -0.991 . . . . 0.0 112.751 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -112.51 81.32 1.46 Allowed 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 122.011 0.91 . . . . 0.0 109.506 158.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -131.54 -79.64 0.52 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.842 0.857 . . . . 0.0 109.727 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 124.459 2.076 . . . . 0.0 110.333 177.328 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.006 0 N-CA-C 114.035 0.374 . . . . 0.0 114.035 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.7 t -75.95 -66.36 0.8 Allowed 'General case' 0 CA--C 1.571 1.786 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.6 t -98.81 -79.39 0.48 Allowed 'General case' 0 CA--C 1.569 1.696 0 CA-C-N 119.176 0.898 . . . . 0.0 110.161 163.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.8 t 52.13 79.32 0.11 Allowed 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -168.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -144.63 152.87 53.92 Favored Pre-proline 0 CA--C 1.577 2.012 0 C-N-CA 124.074 0.95 . . . . 0.0 111.397 -161.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -36.33 -48.0 1.23 Allowed 'Trans proline' 0 CA--C 1.571 2.349 0 N-CA-C 120.16 3.1 . . . . 0.0 120.16 156.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -69.43 -39.53 77.78 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 169.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.9 m -77.37 95.35 4.39 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -175.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.83 -59.89 2.43 Favored 'General case' 0 CA--C 1.565 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 113.325 167.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -136.55 83.38 2.0 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.376 -0.828 . . . . 0.0 109.017 162.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -126.71 -66.58 0.9 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.157 0.983 . . . . 0.0 110.625 -171.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 124.668 2.175 . . . . 0.0 110.013 169.344 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 114.151 0.42 . . . . 0.0 114.151 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.81 -88.85 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.799 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.37 -74.2 0.36 Allowed 'General case' 0 CA--C 1.564 1.493 0 O-C-N 120.279 -1.513 . . . . 0.0 111.276 169.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.2 t 49.94 66.24 1.19 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 120.336 1.425 . . . . 0.0 114.747 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -145.52 155.87 53.19 Favored Pre-proline 0 CA--C 1.578 2.035 0 O-C-N 121.055 -1.028 . . . . 0.0 111.904 -154.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -48.54 -36.61 32.01 Favored 'Trans proline' 0 CA--C 1.569 2.251 0 N-CA-C 119.828 2.972 . . . . 0.0 119.828 165.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -81.5 -1.61 46.71 Favored 'General case' 0 CA--C 1.583 2.242 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 165.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.0 m -116.71 103.9 10.82 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 124.725 1.21 . . . . 0.0 111.18 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.15 -70.62 0.53 Allowed 'General case' 0 CA--C 1.569 1.706 0 O-C-N 121.05 -1.032 . . . . 0.0 112.249 165.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -126.09 81.75 2.02 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 121.968 0.89 . . . . 0.0 109.172 162.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -124.62 -56.47 1.59 Allowed 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 124.024 0.93 . . . . 0.0 111.676 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 124.575 2.131 . . . . 0.0 109.349 166.574 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 114.501 0.561 . . . . 0.0 114.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.9 -83.15 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t -93.12 -74.29 0.53 Allowed 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 119.754 1.161 . . . . 0.0 111.35 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t 54.42 63.73 2.06 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -150.54 162.08 28.47 Favored Pre-proline 0 CA--C 1.579 2.06 0 O-C-N 120.802 -1.186 . . . . 0.0 112.188 -146.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.78 -39.18 23.77 Favored 'Trans proline' 0 CA--C 1.569 2.259 0 N-CA-C 119.558 2.868 . . . . 0.0 119.558 162.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -84.61 8.92 15.12 Favored 'General case' 0 CA--C 1.583 2.233 0 N-CA-C 117.932 2.567 . . . . 0.0 117.932 166.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.7 m -136.77 99.03 3.93 Favored 'General case' 0 CA--C 1.569 1.684 0 O-C-N 120.458 -1.401 . . . . 0.0 112.988 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.8 -60.24 2.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.128 -0.982 . . . . 0.0 113.465 165.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -132.83 75.12 1.61 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.668 -1.27 . . . . 0.0 109.466 165.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -118.3 -69.98 0.82 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.114 -169.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 125.145 2.402 . . . . 0.0 111.392 167.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 114.797 0.679 . . . . 0.0 114.797 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.4 t -108.71 -83.42 0.55 Allowed 'General case' 0 CA--C 1.565 1.556 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.966 172.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.15 -78.24 0.41 Allowed 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 120.432 1.469 . . . . 0.0 111.767 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.6 t 52.36 73.1 0.36 Allowed 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 119.822 1.192 . . . . 0.0 114.12 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -150.18 156.8 37.59 Favored Pre-proline 0 CA--C 1.576 1.953 0 O-C-N 121.168 -0.957 . . . . 0.0 111.948 -158.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -45.68 -45.63 16.22 Favored 'Trans proline' 0 CA--C 1.567 2.142 0 N-CA-C 119.06 2.677 . . . . 0.0 119.06 159.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -68.17 -4.23 13.15 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 118.73 2.863 . . . . 0.0 118.73 166.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 92.7 m -122.08 103.48 8.83 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 124.792 1.237 . . . . 0.0 111.929 -175.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.83 -74.57 0.31 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.527 -1.358 . . . . 0.0 111.818 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -119.13 61.14 0.81 Allowed 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.801 0.81 . . . . 0.0 111.054 162.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 70.1 ttt180 -96.79 -66.97 0.87 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.652 -1.28 . . . . 0.0 112.39 -168.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 125.281 2.467 . . . . 0.0 109.567 174.47 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.2 t -99.44 -88.8 0.33 Allowed 'General case' 0 CA--C 1.565 1.534 0 C-N-CA 123.948 0.899 . . . . 0.0 111.555 -172.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -87.53 -78.09 0.32 Allowed 'General case' 0 CA--C 1.566 1.591 0 CA-C-N 120.361 1.437 . . . . 0.0 109.617 158.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t 53.03 69.03 0.74 Allowed 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 171.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -159.37 160.3 28.31 Favored Pre-proline 0 CA--C 1.581 2.146 0 O-C-N 120.731 -1.231 . . . . 0.0 112.272 -145.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.58 -40.26 30.06 Favored 'Trans proline' 0 CA--C 1.571 2.364 0 N-CA-C 120.351 3.174 . . . . 0.0 120.351 166.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -73.16 -10.12 59.44 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 164.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 85.7 m -120.18 102.21 8.35 Favored 'General case' 0 CA--C 1.567 1.615 0 O-C-N 120.803 -1.185 . . . . 0.0 111.934 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.64 -63.3 1.42 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.0 112.952 169.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -127.06 61.09 1.36 Allowed 'General case' 0 CA--C 1.569 1.702 0 CA-C-O 121.861 0.839 . . . . 0.0 112.269 163.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 73.1 ttt180 -92.88 -70.31 0.7 Allowed 'General case' 0 CA--C 1.562 1.407 0 O-C-N 121.121 -0.987 . . . . 0.0 111.312 171.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 t . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 124.227 1.965 . . . . 0.0 109.223 -176.401 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.993 0 N-CA-C 116.591 1.397 . . . . 0.0 116.591 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.43 -81.56 0.07 Allowed 'General case' 0 CA--C 1.573 1.848 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.6 t -96.07 -76.32 0.51 Allowed 'General case' 0 CA--C 1.569 1.678 0 O-C-N 120.857 -1.152 . . . . 0.0 109.548 155.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.8 t 53.56 73.1 0.39 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 120.379 1.445 . . . . 0.0 114.457 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -152.87 153.82 30.44 Favored Pre-proline 0 CA--C 1.58 2.133 0 O-C-N 121.215 -0.928 . . . . 0.0 112.922 -153.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -48.95 -33.91 27.38 Favored 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.826 3.356 . . . . 0.0 120.826 166.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -78.3 -37.0 45.82 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 165.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.5 m -84.52 102.45 12.85 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 121.066 -1.021 . . . . 0.0 112.064 -177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.38 -72.49 0.41 Allowed 'General case' 0 CA--C 1.567 1.616 0 O-C-N 120.823 -1.173 . . . . 0.0 113.355 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -118.47 55.74 0.9 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 119.314 0.961 . . . . 0.0 112.118 166.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -101.44 -70.61 0.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.927 -1.108 . . . . 0.0 112.157 -167.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 124.637 2.161 . . . . 0.0 109.555 173.028 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 CA-C-O 122.849 1.249 . . . . 0.0 116.181 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -89.55 -73.91 0.5 Allowed 'General case' 0 CA--C 1.566 1.567 0 O-C-N 122.106 -0.643 . . . . 0.0 111.933 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -102.96 -66.66 0.92 Allowed 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 124.181 0.992 . . . . 0.0 110.493 168.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 t 51.04 68.87 0.72 Allowed 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -152.55 161.11 30.14 Favored Pre-proline 0 CA--C 1.581 2.158 0 O-C-N 120.964 -1.085 . . . . 0.0 110.949 -151.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.9 -41.84 8.96 Favored 'Trans proline' 0 CA--C 1.574 2.498 0 N-CA-C 119.61 2.888 . . . . 0.0 119.61 158.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HG3' ' SG ' ' A' ' 8' ' ' CYS . 18.9 ptt-85 -64.96 -24.27 67.47 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 118.305 2.705 . . . . 0.0 118.305 164.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' SG ' ' HG3' ' A' ' 7' ' ' ARG . 86.1 m -119.81 94.3 4.35 Favored 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 124.522 1.129 . . . . 0.0 112.748 -173.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.61 -56.12 3.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.962 -1.086 . . . . 0.0 113.646 165.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -128.05 72.99 1.44 Allowed 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 121.793 0.806 . . . . 0.0 110.312 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -140.46 -71.56 0.37 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.378 -0.826 . . . . 0.0 110.453 -163.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 124.78 2.228 . . . . 0.0 110.67 170.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.092 0 N-CA-C 114.267 0.467 . . . . 0.0 114.267 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.5 t -73.49 -94.72 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.747 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -174.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 t -81.24 -64.46 1.18 Allowed 'General case' 0 CA--C 1.566 1.595 0 O-C-N 120.839 -1.163 . . . . 0.0 110.783 161.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t 54.5 62.37 2.59 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -150.66 162.02 28.51 Favored Pre-proline 0 CA--C 1.576 1.973 0 O-C-N 120.978 -1.076 . . . . 0.0 112.138 -149.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -46.38 -42.92 22.41 Favored 'Trans proline' 0 CA--C 1.575 2.531 0 N-CA-C 118.96 2.638 . . . . 0.0 118.96 159.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -64.87 -18.0 64.78 Favored 'General case' 0 CA--C 1.583 2.24 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 164.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.7 m -126.26 88.82 2.91 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 124.653 1.181 . . . . 0.0 112.105 -175.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.79 -68.87 0.56 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.798 -1.188 . . . . 0.0 113.927 172.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -120.37 85.33 2.37 Favored 'General case' 0 CA--C 1.565 1.522 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 163.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -141.36 -71.58 0.35 Allowed 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 123.675 0.79 . . . . 0.0 110.373 -171.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 124.341 2.019 . . . . 0.0 109.423 171.62 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 114.44 0.536 . . . . 0.0 114.44 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.257 51.1 t -74.32 -104.31 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -163.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -76.18 -60.46 2.32 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 120.72 1.6 . . . . 0.0 112.226 167.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t 53.9 64.87 1.68 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 171.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -144.98 160.47 46.4 Favored Pre-proline 0 CA--C 1.578 2.043 0 O-C-N 121.293 -0.879 . . . . 0.0 111.484 -151.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -47.38 -44.16 25.31 Favored 'Trans proline' 0 CA--C 1.573 2.426 0 N-CA-C 119.239 2.746 . . . . 0.0 119.239 162.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -64.94 -34.82 79.34 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 164.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.65 81.9 4.78 Favored 'General case' 0 CA--C 1.565 1.539 0 O-C-N 121.518 -0.739 . . . . 0.0 112.191 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.57 -57.72 3.75 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 169.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -128.78 50.45 2.12 Favored 'General case' 0 CA--C 1.576 1.946 0 CA-C-O 121.434 0.635 . . . . 0.0 112.63 159.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -95.36 -62.42 1.3 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.54 -1.35 . . . . 0.0 112.286 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 124.193 1.949 . . . . 0.0 108.971 166.764 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.036 0 N-CA-C 113.969 0.348 . . . . 0.0 113.969 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.42 -89.74 0.15 Allowed 'General case' 0 CA--C 1.57 1.723 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.603 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.5 t -81.02 -61.73 1.87 Allowed 'General case' 0 CA--C 1.563 1.464 0 CA-C-N 120.127 1.331 . . . . 0.0 112.254 162.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 t 54.6 75.79 0.28 Allowed 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -155.74 155.41 29.47 Favored Pre-proline 0 CA--C 1.581 2.137 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -163.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -41.89 -56.77 1.78 Allowed 'Trans proline' 0 CA--C 1.572 2.412 0 C-N-CA 123.682 2.921 . . . . 0.0 119.59 159.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 ptt-85 -59.52 -19.79 50.72 Favored 'General case' 0 N--CA 1.508 2.448 0 N-CA-C 118.609 2.818 . . . . 0.0 118.609 168.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 83.2 m -95.72 90.39 5.66 Favored 'General case' 0 CA--C 1.571 1.77 0 O-C-N 121.225 -0.922 . . . . 0.0 110.687 169.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.35 -70.9 0.44 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 119.901 -1.749 . . . . 0.0 111.733 170.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -123.19 80.75 1.8 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 122.029 0.918 . . . . 0.0 108.94 163.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 69.9 ttt180 -131.32 -68.61 0.65 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.777 0.831 . . . . 0.0 110.047 -168.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 124.396 2.046 . . . . 0.0 110.33 170.074 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 CA-C-O 120.656 0.031 . . . . 0.0 113.121 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.9 t -95.05 -87.61 0.27 Allowed 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 123.663 0.785 . . . . 0.0 110.645 173.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -78.76 -68.21 0.67 Allowed 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 120.583 1.538 . . . . 0.0 111.943 165.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 t 54.96 73.08 0.43 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -156.5 155.53 28.87 Favored Pre-proline 0 CA--C 1.579 2.085 0 O-C-N 120.82 -1.175 . . . . 0.0 111.923 -161.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.46 -45.29 19.48 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 N-CA-C 119.199 2.73 . . . . 0.0 119.199 162.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ptt-85 -57.87 -30.62 65.98 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 117.627 2.454 . . . . 0.0 117.627 164.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.67 93.05 6.51 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 124.256 1.023 . . . . 0.0 111.484 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.51 -66.52 0.87 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.799 -1.188 . . . . 0.0 111.714 165.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -120.28 67.51 0.84 Allowed 'General case' 0 CA--C 1.571 1.771 0 CA-C-N 119.011 0.823 . . . . 0.0 111.26 164.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -113.38 -73.07 0.68 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.452 -0.78 . . . . 0.0 111.333 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 124.58 2.134 . . . . 0.0 111.35 177.462 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.06 0 N-CA-C 115.816 1.086 . . . . 0.0 115.816 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 t -83.07 -92.99 0.07 Allowed 'General case' 0 CA--C 1.568 1.644 0 C-N-CA 123.328 0.651 . . . . 0.0 112.103 -174.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -77.73 -62.28 1.72 Allowed 'General case' 0 CA--C 1.562 1.433 0 O-C-N 120.177 -1.577 . . . . 0.0 111.411 164.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t 52.18 62.36 2.74 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -146.6 156.0 48.89 Favored Pre-proline 0 CA--C 1.576 1.946 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.631 -155.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.03 -48.34 9.45 Favored 'Trans proline' 0 CA--C 1.569 2.26 0 N-CA-C 119.253 2.751 . . . . 0.0 119.253 162.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -58.2 -32.0 67.85 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 165.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.7 m -101.32 83.91 2.54 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.508 1.123 . . . . 0.0 112.841 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.88 -68.61 0.61 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.63 -1.294 . . . . 0.0 112.75 174.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -114.17 86.56 2.44 Favored 'General case' 0 CA--C 1.563 1.481 0 CA-C-N 119.134 0.879 . . . . 0.0 110.022 160.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -143.48 -78.83 0.22 Allowed 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.79 -170.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 124.634 2.159 . . . . 0.0 111.331 172.801 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.7 t . . . . . 0 CA--C 1.571 1.771 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.5 t -93.98 -70.97 0.68 Allowed 'General case' 0 CA--C 1.563 1.461 0 CA-C-N 120.33 1.423 . . . . 0.0 110.969 159.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 t 43.08 74.0 0.13 Allowed 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -155.65 153.76 26.84 Favored Pre-proline 0 CA--C 1.577 2.002 0 O-C-N 121.359 -0.838 . . . . 0.0 110.925 -155.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -43.33 -45.78 9.87 Favored 'Trans proline' 0 CA--C 1.571 2.37 0 N-CA-C 119.482 2.839 . . . . 0.0 119.482 166.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -64.48 -22.1 66.86 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 119.113 3.005 . . . . 0.0 119.113 167.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -101.15 119.06 38.2 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 119.562 1.074 . . . . 0.0 112.473 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.98 -73.82 0.64 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.046 -1.033 . . . . 0.0 110.971 165.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 42.0 t-105 -111.79 68.53 0.67 Allowed 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 119.895 1.225 . . . . 0.0 111.289 168.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -126.06 -59.27 1.34 Allowed 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.576 -170.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 124.689 2.185 . . . . 0.0 112.101 164.756 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.569 1.709 0 CA-C-O 118.837 -0.601 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.8 t -78.2 -62.76 1.57 Allowed 'General case' 0 CA--C 1.565 1.557 0 CA-C-N 120.91 1.686 . . . . 0.0 112.496 167.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.6 t 50.45 66.53 1.13 Allowed 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -146.1 154.11 49.95 Favored Pre-proline 0 CA--C 1.577 1.994 0 O-C-N 120.828 -1.17 . . . . 0.0 111.991 -158.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.25 -39.69 34.84 Favored 'Trans proline' 0 CA--C 1.571 2.332 0 N-CA-C 119.332 2.782 . . . . 0.0 119.332 164.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -63.68 -39.54 94.58 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 163.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.2 m -92.36 86.91 5.83 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 124.32 1.048 . . . . 0.0 112.609 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.57 -73.07 0.34 Allowed 'General case' 0 CA--C 1.565 1.531 0 O-C-N 121.114 -0.991 . . . . 0.0 112.751 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -112.51 81.32 1.46 Allowed 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 122.011 0.91 . . . . 0.0 109.506 158.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -131.54 -79.64 0.52 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.842 0.857 . . . . 0.0 109.727 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 124.459 2.076 . . . . 0.0 110.333 177.328 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 CA--C 1.571 1.786 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.6 t -98.81 -79.39 0.48 Allowed 'General case' 0 CA--C 1.569 1.696 0 CA-C-N 119.176 0.898 . . . . 0.0 110.161 163.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.8 t 52.13 79.32 0.11 Allowed 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -168.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -144.63 152.87 53.92 Favored Pre-proline 0 CA--C 1.577 2.012 0 C-N-CA 124.074 0.95 . . . . 0.0 111.397 -161.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -36.33 -48.0 1.23 Allowed 'Trans proline' 0 CA--C 1.571 2.349 0 N-CA-C 120.16 3.1 . . . . 0.0 120.16 156.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -69.43 -39.53 77.78 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 169.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.9 m -77.37 95.35 4.39 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -175.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.83 -59.89 2.43 Favored 'General case' 0 CA--C 1.565 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 113.325 167.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -136.55 83.38 2.0 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.376 -0.828 . . . . 0.0 109.017 162.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -126.71 -66.58 0.9 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.157 0.983 . . . . 0.0 110.625 -171.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 124.668 2.175 . . . . 0.0 110.013 169.344 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.4 t . . . . . 0 CA--C 1.572 1.799 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.37 -74.2 0.36 Allowed 'General case' 0 CA--C 1.564 1.493 0 O-C-N 120.279 -1.513 . . . . 0.0 111.276 169.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.2 t 49.94 66.24 1.19 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 120.336 1.425 . . . . 0.0 114.747 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -145.52 155.87 53.19 Favored Pre-proline 0 CA--C 1.578 2.035 0 O-C-N 121.055 -1.028 . . . . 0.0 111.904 -154.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -48.54 -36.61 32.01 Favored 'Trans proline' 0 CA--C 1.569 2.251 0 N-CA-C 119.828 2.972 . . . . 0.0 119.828 165.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -81.5 -1.61 46.71 Favored 'General case' 0 CA--C 1.583 2.242 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 165.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.0 m -116.71 103.9 10.82 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 124.725 1.21 . . . . 0.0 111.18 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.15 -70.62 0.53 Allowed 'General case' 0 CA--C 1.569 1.706 0 O-C-N 121.05 -1.032 . . . . 0.0 112.249 165.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -126.09 81.75 2.02 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 121.968 0.89 . . . . 0.0 109.172 162.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -124.62 -56.47 1.59 Allowed 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 124.024 0.93 . . . . 0.0 111.676 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 124.575 2.131 . . . . 0.0 109.349 166.574 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t -93.12 -74.29 0.53 Allowed 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 119.754 1.161 . . . . 0.0 111.35 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t 54.42 63.73 2.06 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -150.54 162.08 28.47 Favored Pre-proline 0 CA--C 1.579 2.06 0 O-C-N 120.802 -1.186 . . . . 0.0 112.188 -146.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.78 -39.18 23.77 Favored 'Trans proline' 0 CA--C 1.569 2.259 0 N-CA-C 119.558 2.868 . . . . 0.0 119.558 162.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -84.61 8.92 15.12 Favored 'General case' 0 CA--C 1.583 2.233 0 N-CA-C 117.932 2.567 . . . . 0.0 117.932 166.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.7 m -136.77 99.03 3.93 Favored 'General case' 0 CA--C 1.569 1.684 0 O-C-N 120.458 -1.401 . . . . 0.0 112.988 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.8 -60.24 2.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.128 -0.982 . . . . 0.0 113.465 165.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -132.83 75.12 1.61 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.668 -1.27 . . . . 0.0 109.466 165.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -118.3 -69.98 0.82 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.114 -169.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 125.145 2.402 . . . . 0.0 111.392 167.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 CA--C 1.565 1.556 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.15 -78.24 0.41 Allowed 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 120.432 1.469 . . . . 0.0 111.767 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.6 t 52.36 73.1 0.36 Allowed 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 119.822 1.192 . . . . 0.0 114.12 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -150.18 156.8 37.59 Favored Pre-proline 0 CA--C 1.576 1.953 0 O-C-N 121.168 -0.957 . . . . 0.0 111.948 -158.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -45.68 -45.63 16.22 Favored 'Trans proline' 0 CA--C 1.567 2.142 0 N-CA-C 119.06 2.677 . . . . 0.0 119.06 159.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -68.17 -4.23 13.15 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 118.73 2.863 . . . . 0.0 118.73 166.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 92.7 m -122.08 103.48 8.83 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 124.792 1.237 . . . . 0.0 111.929 -175.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.83 -74.57 0.31 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.527 -1.358 . . . . 0.0 111.818 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -119.13 61.14 0.81 Allowed 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.801 0.81 . . . . 0.0 111.054 162.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 70.1 ttt180 -96.79 -66.97 0.87 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.652 -1.28 . . . . 0.0 112.39 -168.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 125.281 2.467 . . . . 0.0 109.567 174.47 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.2 t . . . . . 0 CA--C 1.565 1.534 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -87.53 -78.09 0.32 Allowed 'General case' 0 CA--C 1.566 1.591 0 CA-C-N 120.361 1.437 . . . . 0.0 109.617 158.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t 53.03 69.03 0.74 Allowed 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 171.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -159.37 160.3 28.31 Favored Pre-proline 0 CA--C 1.581 2.146 0 O-C-N 120.731 -1.231 . . . . 0.0 112.272 -145.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.58 -40.26 30.06 Favored 'Trans proline' 0 CA--C 1.571 2.364 0 N-CA-C 120.351 3.174 . . . . 0.0 120.351 166.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -73.16 -10.12 59.44 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 164.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 85.7 m -120.18 102.21 8.35 Favored 'General case' 0 CA--C 1.567 1.615 0 O-C-N 120.803 -1.185 . . . . 0.0 111.934 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.64 -63.3 1.42 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.0 112.952 169.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -127.06 61.09 1.36 Allowed 'General case' 0 CA--C 1.569 1.702 0 CA-C-O 121.861 0.839 . . . . 0.0 112.269 163.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.51 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 73.1 ttt180 -92.88 -70.31 0.7 Allowed 'General case' 0 CA--C 1.562 1.407 0 O-C-N 121.121 -0.987 . . . . 0.0 111.312 171.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 t . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 124.227 1.965 . . . . 0.0 109.223 -176.401 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.3 t . . . . . 0 CA--C 1.573 1.848 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.6 t -96.07 -76.32 0.51 Allowed 'General case' 0 CA--C 1.569 1.678 0 O-C-N 120.857 -1.152 . . . . 0.0 109.548 155.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.8 t 53.56 73.1 0.39 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 120.379 1.445 . . . . 0.0 114.457 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -152.87 153.82 30.44 Favored Pre-proline 0 CA--C 1.58 2.133 0 O-C-N 121.215 -0.928 . . . . 0.0 112.922 -153.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -48.95 -33.91 27.38 Favored 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.826 3.356 . . . . 0.0 120.826 166.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -78.3 -37.0 45.82 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 165.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.5 m -84.52 102.45 12.85 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 121.066 -1.021 . . . . 0.0 112.064 -177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.38 -72.49 0.41 Allowed 'General case' 0 CA--C 1.567 1.616 0 O-C-N 120.823 -1.173 . . . . 0.0 113.355 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -118.47 55.74 0.9 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 119.314 0.961 . . . . 0.0 112.118 166.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -101.44 -70.61 0.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.927 -1.108 . . . . 0.0 112.157 -167.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 124.637 2.161 . . . . 0.0 109.555 173.028 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t . . . . . 0 CA--C 1.566 1.567 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -102.96 -66.66 0.92 Allowed 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 124.181 0.992 . . . . 0.0 110.493 168.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 t 51.04 68.87 0.72 Allowed 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -152.55 161.11 30.14 Favored Pre-proline 0 CA--C 1.581 2.158 0 O-C-N 120.964 -1.085 . . . . 0.0 110.949 -151.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.9 -41.84 8.96 Favored 'Trans proline' 0 CA--C 1.574 2.498 0 N-CA-C 119.61 2.888 . . . . 0.0 119.61 158.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HG3' ' SG ' ' A' ' 8' ' ' CYS . 18.9 ptt-85 -64.96 -24.27 67.47 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 118.305 2.705 . . . . 0.0 118.305 164.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' SG ' ' HG3' ' A' ' 7' ' ' ARG . 86.1 m -119.81 94.3 4.35 Favored 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 124.522 1.129 . . . . 0.0 112.748 -173.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.61 -56.12 3.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.962 -1.086 . . . . 0.0 113.646 165.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -128.05 72.99 1.44 Allowed 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 121.793 0.806 . . . . 0.0 110.312 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -140.46 -71.56 0.37 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.378 -0.826 . . . . 0.0 110.453 -163.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 124.78 2.228 . . . . 0.0 110.67 170.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.5 t . . . . . 0 CA--C 1.57 1.747 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 t -81.24 -64.46 1.18 Allowed 'General case' 0 CA--C 1.566 1.595 0 O-C-N 120.839 -1.163 . . . . 0.0 110.783 161.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t 54.5 62.37 2.59 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -150.66 162.02 28.51 Favored Pre-proline 0 CA--C 1.576 1.973 0 O-C-N 120.978 -1.076 . . . . 0.0 112.138 -149.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -46.38 -42.92 22.41 Favored 'Trans proline' 0 CA--C 1.575 2.531 0 N-CA-C 118.96 2.638 . . . . 0.0 118.96 159.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -64.87 -18.0 64.78 Favored 'General case' 0 CA--C 1.583 2.24 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 164.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.7 m -126.26 88.82 2.91 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 124.653 1.181 . . . . 0.0 112.105 -175.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.79 -68.87 0.56 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.798 -1.188 . . . . 0.0 113.927 172.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -120.37 85.33 2.37 Favored 'General case' 0 CA--C 1.565 1.522 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 163.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -141.36 -71.58 0.35 Allowed 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 123.675 0.79 . . . . 0.0 110.373 -171.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 124.341 2.019 . . . . 0.0 109.423 171.62 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.257 51.1 t . . . . . 0 CA--C 1.573 1.833 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -76.18 -60.46 2.32 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 120.72 1.6 . . . . 0.0 112.226 167.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t 53.9 64.87 1.68 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 171.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -144.98 160.47 46.4 Favored Pre-proline 0 CA--C 1.578 2.043 0 O-C-N 121.293 -0.879 . . . . 0.0 111.484 -151.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -47.38 -44.16 25.31 Favored 'Trans proline' 0 CA--C 1.573 2.426 0 N-CA-C 119.239 2.746 . . . . 0.0 119.239 162.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -64.94 -34.82 79.34 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 164.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.65 81.9 4.78 Favored 'General case' 0 CA--C 1.565 1.539 0 O-C-N 121.518 -0.739 . . . . 0.0 112.191 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.57 -57.72 3.75 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 169.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -128.78 50.45 2.12 Favored 'General case' 0 CA--C 1.576 1.946 0 CA-C-O 121.434 0.635 . . . . 0.0 112.63 159.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -95.36 -62.42 1.3 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.54 -1.35 . . . . 0.0 112.286 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 124.193 1.949 . . . . 0.0 108.971 166.764 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 CA--C 1.57 1.723 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.5 t -81.02 -61.73 1.87 Allowed 'General case' 0 CA--C 1.563 1.464 0 CA-C-N 120.127 1.331 . . . . 0.0 112.254 162.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 t 54.6 75.79 0.28 Allowed 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -155.74 155.41 29.47 Favored Pre-proline 0 CA--C 1.581 2.137 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -163.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -41.89 -56.77 1.78 Allowed 'Trans proline' 0 CA--C 1.572 2.412 0 C-N-CA 123.682 2.921 . . . . 0.0 119.59 159.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 ptt-85 -59.52 -19.79 50.72 Favored 'General case' 0 N--CA 1.508 2.448 0 N-CA-C 118.609 2.818 . . . . 0.0 118.609 168.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 83.2 m -95.72 90.39 5.66 Favored 'General case' 0 CA--C 1.571 1.77 0 O-C-N 121.225 -0.922 . . . . 0.0 110.687 169.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.35 -70.9 0.44 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 119.901 -1.749 . . . . 0.0 111.733 170.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -123.19 80.75 1.8 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 122.029 0.918 . . . . 0.0 108.94 163.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 69.9 ttt180 -131.32 -68.61 0.65 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.777 0.831 . . . . 0.0 110.047 -168.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 124.396 2.046 . . . . 0.0 110.33 170.074 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.567 1.603 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -78.76 -68.21 0.67 Allowed 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 120.583 1.538 . . . . 0.0 111.943 165.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 t 54.96 73.08 0.43 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -156.5 155.53 28.87 Favored Pre-proline 0 CA--C 1.579 2.085 0 O-C-N 120.82 -1.175 . . . . 0.0 111.923 -161.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.46 -45.29 19.48 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 N-CA-C 119.199 2.73 . . . . 0.0 119.199 162.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ptt-85 -57.87 -30.62 65.98 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 117.627 2.454 . . . . 0.0 117.627 164.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.67 93.05 6.51 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 124.256 1.023 . . . . 0.0 111.484 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.51 -66.52 0.87 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.799 -1.188 . . . . 0.0 111.714 165.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -120.28 67.51 0.84 Allowed 'General case' 0 CA--C 1.571 1.771 0 CA-C-N 119.011 0.823 . . . . 0.0 111.26 164.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -113.38 -73.07 0.68 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.452 -0.78 . . . . 0.0 111.333 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 124.58 2.134 . . . . 0.0 111.35 177.462 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 t . . . . . 0 CA--C 1.568 1.644 0 CA-C-O 119.216 -0.421 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -77.73 -62.28 1.72 Allowed 'General case' 0 CA--C 1.562 1.433 0 O-C-N 120.177 -1.577 . . . . 0.0 111.411 164.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t 52.18 62.36 2.74 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -146.6 156.0 48.89 Favored Pre-proline 0 CA--C 1.576 1.946 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.631 -155.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.03 -48.34 9.45 Favored 'Trans proline' 0 CA--C 1.569 2.26 0 N-CA-C 119.253 2.751 . . . . 0.0 119.253 162.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -58.2 -32.0 67.85 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 165.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.7 m -101.32 83.91 2.54 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.508 1.123 . . . . 0.0 112.841 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.88 -68.61 0.61 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.63 -1.294 . . . . 0.0 112.75 174.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -114.17 86.56 2.44 Favored 'General case' 0 CA--C 1.563 1.481 0 CA-C-N 119.134 0.879 . . . . 0.0 110.022 160.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -143.48 -78.83 0.22 Allowed 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.79 -170.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 124.634 2.159 . . . . 0.0 111.331 172.801 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 115.476 0.951 . . . . 0.0 115.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 49.7 t -71.2 -88.52 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.19 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.5 t -93.98 -70.97 0.68 Allowed 'General case' 0 CA--C 1.563 1.461 0 CA-C-N 120.33 1.423 . . . . 0.0 110.969 159.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 t 43.08 74.0 0.13 Allowed 'General case' 0 N--CA 1.503 2.202 0 N-CA-C 115.667 1.729 . . . . 0.0 115.667 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -155.65 153.76 26.84 Favored Pre-proline 0 CA--C 1.577 2.002 0 O-C-N 121.359 -0.838 . . . . 0.0 110.925 -155.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -43.33 -45.78 9.87 Favored 'Trans proline' 0 CA--C 1.571 2.37 0 N-CA-C 119.482 2.839 . . . . 0.0 119.482 166.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -64.48 -22.1 66.86 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 119.113 3.005 . . . . 0.0 119.113 167.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 88.7 m -101.15 119.06 38.2 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 119.562 1.074 . . . . 0.0 112.473 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.98 -73.82 0.64 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.046 -1.033 . . . . 0.0 110.971 165.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 42.0 t-105 -111.79 68.53 0.67 Allowed 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 119.895 1.225 . . . . 0.0 111.289 168.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -126.06 -59.27 1.34 Allowed 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.576 -170.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 124.689 2.185 . . . . 0.0 112.101 164.756 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.045 0 N-CA-C 115.626 1.01 . . . . 0.0 115.626 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -89.03 -100.25 0.09 Allowed 'General case' 0 CA--C 1.569 1.709 0 CA-C-O 118.837 -0.601 . . . . 0.0 110.939 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.8 t -78.2 -62.76 1.57 Allowed 'General case' 0 CA--C 1.565 1.557 0 CA-C-N 120.91 1.686 . . . . 0.0 112.496 167.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.6 t 50.45 66.53 1.13 Allowed 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -146.1 154.11 49.95 Favored Pre-proline 0 CA--C 1.577 1.994 0 O-C-N 120.828 -1.17 . . . . 0.0 111.991 -158.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.25 -39.69 34.84 Favored 'Trans proline' 0 CA--C 1.571 2.332 0 N-CA-C 119.332 2.782 . . . . 0.0 119.332 164.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -63.68 -39.54 94.58 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 163.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.2 m -92.36 86.91 5.83 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 124.32 1.048 . . . . 0.0 112.609 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.57 -73.07 0.34 Allowed 'General case' 0 CA--C 1.565 1.531 0 O-C-N 121.114 -0.991 . . . . 0.0 112.751 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 35.6 t-105 -112.51 81.32 1.46 Allowed 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 122.011 0.91 . . . . 0.0 109.506 158.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -131.54 -79.64 0.52 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 123.842 0.857 . . . . 0.0 109.727 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 124.459 2.076 . . . . 0.0 110.333 177.328 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.006 0 N-CA-C 114.035 0.374 . . . . 0.0 114.035 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.7 t -75.95 -66.36 0.8 Allowed 'General case' 0 CA--C 1.571 1.786 0 N-CA-C 113.971 1.101 . . . . 0.0 113.971 175.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.6 t -98.81 -79.39 0.48 Allowed 'General case' 0 CA--C 1.569 1.696 0 CA-C-N 119.176 0.898 . . . . 0.0 110.161 163.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.8 t 52.13 79.32 0.11 Allowed 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -168.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -144.63 152.87 53.92 Favored Pre-proline 0 CA--C 1.577 2.012 0 C-N-CA 124.074 0.95 . . . . 0.0 111.397 -161.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -36.33 -48.0 1.23 Allowed 'Trans proline' 0 CA--C 1.571 2.349 0 N-CA-C 120.16 3.1 . . . . 0.0 120.16 156.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -69.43 -39.53 77.78 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 169.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.9 m -77.37 95.35 4.39 Favored 'General case' 0 CA--C 1.569 1.711 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -175.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.83 -59.89 2.43 Favored 'General case' 0 CA--C 1.565 1.533 0 O-C-N 121.295 -0.878 . . . . 0.0 113.325 167.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.1 t-105 -136.55 83.38 2.0 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.376 -0.828 . . . . 0.0 109.017 162.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -126.71 -66.58 0.9 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.157 0.983 . . . . 0.0 110.625 -171.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 124.668 2.175 . . . . 0.0 110.013 169.344 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 114.151 0.42 . . . . 0.0 114.151 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.81 -88.85 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.799 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.37 -74.2 0.36 Allowed 'General case' 0 CA--C 1.564 1.493 0 O-C-N 120.279 -1.513 . . . . 0.0 111.276 169.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.2 t 49.94 66.24 1.19 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 120.336 1.425 . . . . 0.0 114.747 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -145.52 155.87 53.19 Favored Pre-proline 0 CA--C 1.578 2.035 0 O-C-N 121.055 -1.028 . . . . 0.0 111.904 -154.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -48.54 -36.61 32.01 Favored 'Trans proline' 0 CA--C 1.569 2.251 0 N-CA-C 119.828 2.972 . . . . 0.0 119.828 165.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -81.5 -1.61 46.71 Favored 'General case' 0 CA--C 1.583 2.242 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 165.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.0 m -116.71 103.9 10.82 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 124.725 1.21 . . . . 0.0 111.18 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.15 -70.62 0.53 Allowed 'General case' 0 CA--C 1.569 1.706 0 O-C-N 121.05 -1.032 . . . . 0.0 112.249 165.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.3 t-105 -126.09 81.75 2.02 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 121.968 0.89 . . . . 0.0 109.172 162.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -124.62 -56.47 1.59 Allowed 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 124.024 0.93 . . . . 0.0 111.676 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 124.575 2.131 . . . . 0.0 109.349 166.574 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 114.501 0.561 . . . . 0.0 114.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.9 -83.15 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 47.2 t -93.12 -74.29 0.53 Allowed 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 119.754 1.161 . . . . 0.0 111.35 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.7 t 54.42 63.73 2.06 Favored 'General case' 0 N--CA 1.502 2.148 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -150.54 162.08 28.47 Favored Pre-proline 0 CA--C 1.579 2.06 0 O-C-N 120.802 -1.186 . . . . 0.0 112.188 -146.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -46.78 -39.18 23.77 Favored 'Trans proline' 0 CA--C 1.569 2.259 0 N-CA-C 119.558 2.868 . . . . 0.0 119.558 162.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -84.61 8.92 15.12 Favored 'General case' 0 CA--C 1.583 2.233 0 N-CA-C 117.932 2.567 . . . . 0.0 117.932 166.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.7 m -136.77 99.03 3.93 Favored 'General case' 0 CA--C 1.569 1.684 0 O-C-N 120.458 -1.401 . . . . 0.0 112.988 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.8 -60.24 2.11 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.128 -0.982 . . . . 0.0 113.465 165.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -132.83 75.12 1.61 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.668 -1.27 . . . . 0.0 109.466 165.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -118.3 -69.98 0.82 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.114 -169.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 125.145 2.402 . . . . 0.0 111.392 167.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 114.797 0.679 . . . . 0.0 114.797 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.4 t -108.71 -83.42 0.55 Allowed 'General case' 0 CA--C 1.565 1.556 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.966 172.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.0 t -92.15 -78.24 0.41 Allowed 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 120.432 1.469 . . . . 0.0 111.767 172.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.6 t 52.36 73.1 0.36 Allowed 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 119.822 1.192 . . . . 0.0 114.12 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -150.18 156.8 37.59 Favored Pre-proline 0 CA--C 1.576 1.953 0 O-C-N 121.168 -0.957 . . . . 0.0 111.948 -158.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -45.68 -45.63 16.22 Favored 'Trans proline' 0 CA--C 1.567 2.142 0 N-CA-C 119.06 2.677 . . . . 0.0 119.06 159.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -68.17 -4.23 13.15 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 118.73 2.863 . . . . 0.0 118.73 166.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 92.7 m -122.08 103.48 8.83 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 124.792 1.237 . . . . 0.0 111.929 -175.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.83 -74.57 0.31 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.527 -1.358 . . . . 0.0 111.818 170.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.5 t-105 -119.13 61.14 0.81 Allowed 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.801 0.81 . . . . 0.0 111.054 162.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 70.1 ttt180 -96.79 -66.97 0.87 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.652 -1.28 . . . . 0.0 112.39 -168.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 125.281 2.467 . . . . 0.0 109.567 174.47 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.2 t -99.44 -88.8 0.33 Allowed 'General case' 0 CA--C 1.565 1.534 0 C-N-CA 123.948 0.899 . . . . 0.0 111.555 -172.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -87.53 -78.09 0.32 Allowed 'General case' 0 CA--C 1.566 1.591 0 CA-C-N 120.361 1.437 . . . . 0.0 109.617 158.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t 53.03 69.03 0.74 Allowed 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 171.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -159.37 160.3 28.31 Favored Pre-proline 0 CA--C 1.581 2.146 0 O-C-N 120.731 -1.231 . . . . 0.0 112.272 -145.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -47.58 -40.26 30.06 Favored 'Trans proline' 0 CA--C 1.571 2.364 0 N-CA-C 120.351 3.174 . . . . 0.0 120.351 166.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -73.16 -10.12 59.44 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 118.882 2.919 . . . . 0.0 118.882 164.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 85.7 m -120.18 102.21 8.35 Favored 'General case' 0 CA--C 1.567 1.615 0 O-C-N 120.803 -1.185 . . . . 0.0 111.934 -176.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.64 -63.3 1.42 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.223 -0.923 . . . . 0.0 112.952 169.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.6 t-105 -127.06 61.09 1.36 Allowed 'General case' 0 CA--C 1.569 1.702 0 CA-C-O 121.861 0.839 . . . . 0.0 112.269 163.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 73.1 ttt180 -92.88 -70.31 0.7 Allowed 'General case' 0 CA--C 1.562 1.407 0 O-C-N 121.121 -0.987 . . . . 0.0 111.312 171.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.2 t . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 124.227 1.965 . . . . 0.0 109.223 -176.401 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.993 0 N-CA-C 116.591 1.397 . . . . 0.0 116.591 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.43 -81.56 0.07 Allowed 'General case' 0 CA--C 1.573 1.848 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.6 t -96.07 -76.32 0.51 Allowed 'General case' 0 CA--C 1.569 1.678 0 O-C-N 120.857 -1.152 . . . . 0.0 109.548 155.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.8 t 53.56 73.1 0.39 Allowed 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 120.379 1.445 . . . . 0.0 114.457 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -152.87 153.82 30.44 Favored Pre-proline 0 CA--C 1.58 2.133 0 O-C-N 121.215 -0.928 . . . . 0.0 112.922 -153.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -48.95 -33.91 27.38 Favored 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.826 3.356 . . . . 0.0 120.826 166.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.8 ptt-85 -78.3 -37.0 45.82 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 165.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 85.5 m -84.52 102.45 12.85 Favored 'General case' 0 CA--C 1.564 1.481 0 O-C-N 121.066 -1.021 . . . . 0.0 112.064 -177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.38 -72.49 0.41 Allowed 'General case' 0 CA--C 1.567 1.616 0 O-C-N 120.823 -1.173 . . . . 0.0 113.355 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -118.47 55.74 0.9 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 119.314 0.961 . . . . 0.0 112.118 166.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -101.44 -70.61 0.74 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.927 -1.108 . . . . 0.0 112.157 -167.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.8 t . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 124.637 2.161 . . . . 0.0 109.555 173.028 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 CA-C-O 122.849 1.249 . . . . 0.0 116.181 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 10.2 t -89.55 -73.91 0.5 Allowed 'General case' 0 CA--C 1.566 1.567 0 O-C-N 122.106 -0.643 . . . . 0.0 111.933 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -102.96 -66.66 0.92 Allowed 'General case' 0 CA--C 1.567 1.618 0 C-N-CA 124.181 0.992 . . . . 0.0 110.493 168.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 t 51.04 68.87 0.72 Allowed 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 176.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -152.55 161.11 30.14 Favored Pre-proline 0 CA--C 1.581 2.158 0 O-C-N 120.964 -1.085 . . . . 0.0 110.949 -151.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -42.9 -41.84 8.96 Favored 'Trans proline' 0 CA--C 1.574 2.498 0 N-CA-C 119.61 2.888 . . . . 0.0 119.61 158.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.465 ' HG3' ' SG ' ' A' ' 8' ' ' CYS . 18.9 ptt-85 -64.96 -24.27 67.47 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 118.305 2.705 . . . . 0.0 118.305 164.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' SG ' ' HG3' ' A' ' 7' ' ' ARG . 86.1 m -119.81 94.3 4.35 Favored 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 124.522 1.129 . . . . 0.0 112.748 -173.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.61 -56.12 3.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.962 -1.086 . . . . 0.0 113.646 165.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -128.05 72.99 1.44 Allowed 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 121.793 0.806 . . . . 0.0 110.312 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -140.46 -71.56 0.37 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.378 -0.826 . . . . 0.0 110.453 -163.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 124.78 2.228 . . . . 0.0 110.67 170.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.092 0 N-CA-C 114.267 0.467 . . . . 0.0 114.267 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.5 t -73.49 -94.72 0.02 OUTLIER 'General case' 0 CA--C 1.57 1.747 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -174.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.5 t -81.24 -64.46 1.18 Allowed 'General case' 0 CA--C 1.566 1.595 0 O-C-N 120.839 -1.163 . . . . 0.0 110.783 161.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.4 t 54.5 62.37 2.59 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -150.66 162.02 28.51 Favored Pre-proline 0 CA--C 1.576 1.973 0 O-C-N 120.978 -1.076 . . . . 0.0 112.138 -149.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -46.38 -42.92 22.41 Favored 'Trans proline' 0 CA--C 1.575 2.531 0 N-CA-C 118.96 2.638 . . . . 0.0 118.96 159.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -64.87 -18.0 64.78 Favored 'General case' 0 CA--C 1.583 2.24 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 164.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.7 m -126.26 88.82 2.91 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 124.653 1.181 . . . . 0.0 112.105 -175.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.79 -68.87 0.56 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.798 -1.188 . . . . 0.0 113.927 172.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 71.5 t-105 -120.37 85.33 2.37 Favored 'General case' 0 CA--C 1.565 1.522 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 163.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -141.36 -71.58 0.35 Allowed 'General case' 0 CA--C 1.566 1.567 0 C-N-CA 123.675 0.79 . . . . 0.0 110.373 -171.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 124.341 2.019 . . . . 0.0 109.423 171.62 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 114.44 0.536 . . . . 0.0 114.44 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . 0.257 51.1 t -74.32 -104.31 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.833 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -163.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -76.18 -60.46 2.32 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 120.72 1.6 . . . . 0.0 112.226 167.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t 53.9 64.87 1.68 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 171.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -144.98 160.47 46.4 Favored Pre-proline 0 CA--C 1.578 2.043 0 O-C-N 121.293 -0.879 . . . . 0.0 111.484 -151.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -47.38 -44.16 25.31 Favored 'Trans proline' 0 CA--C 1.573 2.426 0 N-CA-C 119.239 2.746 . . . . 0.0 119.239 162.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.4 ptt-85 -64.94 -34.82 79.34 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 117.039 2.237 . . . . 0.0 117.039 164.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.65 81.9 4.78 Favored 'General case' 0 CA--C 1.565 1.539 0 O-C-N 121.518 -0.739 . . . . 0.0 112.191 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.57 -57.72 3.75 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 169.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -128.78 50.45 2.12 Favored 'General case' 0 CA--C 1.576 1.946 0 CA-C-O 121.434 0.635 . . . . 0.0 112.63 159.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -95.36 -62.42 1.3 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.54 -1.35 . . . . 0.0 112.286 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 124.193 1.949 . . . . 0.0 108.971 166.764 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.036 0 N-CA-C 113.969 0.348 . . . . 0.0 113.969 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.6 t -89.42 -89.74 0.15 Allowed 'General case' 0 CA--C 1.57 1.723 0 CA-C-O 118.8 -0.619 . . . . 0.0 111.603 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.5 t -81.02 -61.73 1.87 Allowed 'General case' 0 CA--C 1.563 1.464 0 CA-C-N 120.127 1.331 . . . . 0.0 112.254 162.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 t 54.6 75.79 0.28 Allowed 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -155.74 155.41 29.47 Favored Pre-proline 0 CA--C 1.581 2.137 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -163.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -41.89 -56.77 1.78 Allowed 'Trans proline' 0 CA--C 1.572 2.412 0 C-N-CA 123.682 2.921 . . . . 0.0 119.59 159.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 ptt-85 -59.52 -19.79 50.72 Favored 'General case' 0 N--CA 1.508 2.448 0 N-CA-C 118.609 2.818 . . . . 0.0 118.609 168.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' SG ' ' HD3' ' A' ' 11' ' ' ARG . 83.2 m -95.72 90.39 5.66 Favored 'General case' 0 CA--C 1.571 1.77 0 O-C-N 121.225 -0.922 . . . . 0.0 110.687 169.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.35 -70.9 0.44 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 119.901 -1.749 . . . . 0.0 111.733 170.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -123.19 80.75 1.8 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 122.029 0.918 . . . . 0.0 108.94 163.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HD3' ' SG ' ' A' ' 8' ' ' CYS . 69.9 ttt180 -131.32 -68.61 0.65 Allowed 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 123.777 0.831 . . . . 0.0 110.047 -168.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 124.396 2.046 . . . . 0.0 110.33 170.074 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.897 0 CA-C-O 120.656 0.031 . . . . 0.0 113.121 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.9 t -95.05 -87.61 0.27 Allowed 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 123.663 0.785 . . . . 0.0 110.645 173.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -78.76 -68.21 0.67 Allowed 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 120.583 1.538 . . . . 0.0 111.943 165.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.3 t 54.96 73.08 0.43 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 176.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -156.5 155.53 28.87 Favored Pre-proline 0 CA--C 1.579 2.085 0 O-C-N 120.82 -1.175 . . . . 0.0 111.923 -161.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.46 -45.29 19.48 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 N-CA-C 119.199 2.73 . . . . 0.0 119.199 162.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.9 ptt-85 -57.87 -30.62 65.98 Favored 'General case' 0 N--CA 1.508 2.431 0 N-CA-C 117.627 2.454 . . . . 0.0 117.627 164.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.5 m -96.67 93.05 6.51 Favored 'General case' 0 CA--C 1.564 1.489 0 C-N-CA 124.256 1.023 . . . . 0.0 111.484 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.51 -66.52 0.87 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.799 -1.188 . . . . 0.0 111.714 165.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -120.28 67.51 0.84 Allowed 'General case' 0 CA--C 1.571 1.771 0 CA-C-N 119.011 0.823 . . . . 0.0 111.26 164.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -113.38 -73.07 0.68 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.452 -0.78 . . . . 0.0 111.333 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 124.58 2.134 . . . . 0.0 111.35 177.462 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.06 0 N-CA-C 115.816 1.086 . . . . 0.0 115.816 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 15.7 t -83.07 -92.99 0.07 Allowed 'General case' 0 CA--C 1.568 1.644 0 C-N-CA 123.328 0.651 . . . . 0.0 112.103 -174.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -77.73 -62.28 1.72 Allowed 'General case' 0 CA--C 1.562 1.433 0 O-C-N 120.177 -1.577 . . . . 0.0 111.411 164.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.8 t 52.18 62.36 2.74 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 175.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -146.6 156.0 48.89 Favored Pre-proline 0 CA--C 1.576 1.946 0 CA-C-O 118.578 -0.725 . . . . 0.0 111.631 -155.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -44.03 -48.34 9.45 Favored 'Trans proline' 0 CA--C 1.569 2.26 0 N-CA-C 119.253 2.751 . . . . 0.0 119.253 162.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -58.2 -32.0 67.85 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 117.561 2.43 . . . . 0.0 117.561 165.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.7 m -101.32 83.91 2.54 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.508 1.123 . . . . 0.0 112.841 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.88 -68.61 0.61 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.63 -1.294 . . . . 0.0 112.75 174.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 33.3 t-105 -114.17 86.56 2.44 Favored 'General case' 0 CA--C 1.563 1.481 0 CA-C-N 119.134 0.879 . . . . 0.0 110.022 160.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -143.48 -78.83 0.22 Allowed 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 118.361 -0.828 . . . . 0.0 109.79 -170.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 124.634 2.159 . . . . 0.0 111.331 172.801 . . . . . . . . 0 0 . 1 stop_ save_