data_2moa_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 2moa _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.924 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.5 t -109.97 6.57 23.23 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.443 1.897 . . . . 0.0 112.489 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -132.45 79.64 64.8 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 126.146 1.778 . . . . 0.0 111.969 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -44.52 -38.98 12.55 Favored 'Trans proline' 0 CA--C 1.54 0.797 1 C-N-CA 125.32 4.013 . . . . 0.0 116.306 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -63.19 -6.51 4.43 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.282 1.833 . . . . 0.0 115.496 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -128.36 -20.5 3.68 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.533 1.533 . . . . 0.0 112.705 169.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.75 -29.37 64.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -175.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -52.98 -24.95 10.53 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.985 1.314 . . . . 0.0 114.35 170.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -85.75 -29.52 23.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.85 1.26 . . . . 0.0 113.251 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 CA--C 1.544 0.725 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 -163.639 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.023 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.8 m -81.92 -5.45 58.29 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -124.01 78.84 58.53 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 126.809 2.044 . . . . 0.0 111.794 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -43.93 -35.68 7.42 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 125.033 3.822 . . . . 0.0 116.009 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -55.34 -32.56 62.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.406 1.482 . . . . 0.0 114.167 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -107.07 -20.95 13.15 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.332 1.053 . . . . 0.0 112.846 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.96 -33.99 40.13 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.256 -0.903 . . . . 0.0 112.037 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -21.82 -45.35 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 130.35 3.46 . . . . 0.0 116.491 156.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -95.07 -27.31 15.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.342 2.257 . . . . 0.0 113.184 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -163.663 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.841 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 m -78.47 -13.0 60.04 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 172.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -114.53 82.15 7.53 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.127 2.171 . . . . 0.0 109.777 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -51.71 -41.28 62.7 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.962 3.108 . . . . 0.0 114.508 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -58.13 -26.59 62.84 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.657 1.183 . . . . 0.0 113.28 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.6 t -100.29 -32.72 10.72 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.968 2.107 . . . . 0.0 112.59 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.16 -36.63 31.07 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.241 1.017 . . . . 0.0 111.872 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -32.28 -49.57 0.2 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.89 2.476 . . . . 0.0 116.469 163.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -106.87 11.47 29.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.249 1.42 . . . . 0.0 112.55 -174.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -170.196 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.0 m -106.52 15.72 25.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.439 1.895 . . . . 0.0 114.187 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -119.04 87.24 33.75 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.622 1.569 . . . . 0.0 109.093 173.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.45 -28.0 26.37 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.401 3.401 . . . . 0.0 116.075 -172.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -78.29 -22.06 48.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.698 1.199 . . . . 0.0 114.088 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 t -113.09 -13.29 13.07 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.807 1.243 . . . . 0.0 112.95 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.22 62.21 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -50.57 -32.95 20.06 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -75.68 -22.47 56.67 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.906 1.682 . . . . 0.0 111.881 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 125.616 1.567 . . . . 0.0 110.742 179.661 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.821 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.2 m -84.18 6.24 23.32 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.747 1.219 . . . . 0.0 114.214 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -111.6 102.77 54.12 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.676 1.59 . . . . 0.0 110.207 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.99 -24.11 18.52 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.842 3.028 . . . . 0.0 115.812 -173.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -99.07 -11.08 21.78 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.663 1.585 . . . . 0.0 113.872 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -121.66 -9.09 8.95 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.61 1.164 . . . . 0.0 113.369 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.95 -10.17 12.62 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -62.78 -36.03 81.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.921 1.288 . . . . 0.0 113.796 166.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.36 -38.47 21.97 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.747 1.219 . . . . 0.0 113.049 -167.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.471 0.599 0 C-N-CA 124.448 1.099 . . . . 0.0 112.307 -169.449 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.0 m -93.44 2.35 56.52 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -122.16 92.95 48.81 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.261 1.824 . . . . 0.0 110.051 174.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -54.53 -25.83 42.58 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 123.504 2.802 . . . . 0.0 114.602 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -66.61 -16.77 64.43 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 t -123.83 -11.61 7.66 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.214 1.37 . . . . 0.0 113.678 168.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.94 -35.24 64.01 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.532 -1.355 . . . . 0.0 114.135 -172.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -59.92 -26.4 65.9 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.962 2.105 . . . . 0.0 114.797 172.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 -72.94 -30.35 63.81 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.691 -1.256 . . . . 0.0 111.713 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 125.971 1.708 . . . . 0.0 111.226 -176.152 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -98.23 19.56 14.01 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.519 1.928 . . . . 0.0 113.717 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -113.2 93.95 28.38 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 127.037 2.135 . . . . 0.0 108.378 169.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -57.94 -18.3 34.62 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.746 2.964 . . . . 0.0 116.813 -166.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.41 11.05 17.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.169 1.388 . . . . 0.0 114.04 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.5 t -122.56 -15.39 7.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.316 0.962 . . . . 0.0 112.93 168.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.54 -41.57 69.9 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -46.43 -36.36 6.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.787 1.635 . . . . 0.0 114.564 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -74.6 -24.86 58.95 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.265 1.426 . . . . 0.0 112.83 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.8 m . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 122.442 1.115 . . . . 0.0 113.802 -174.537 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.5 m -83.92 -0.06 49.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.483 1.513 . . . . 0.0 114.181 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -119.63 117.14 32.9 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 125.067 1.347 . . . . 0.0 111.781 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.16 -18.72 30.69 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.055 2.503 . . . . 0.0 116.982 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -120.38 0.67 10.61 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 121.044 1.747 . . . . 0.0 113.409 -166.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -126.71 -8.82 6.16 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 170.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.8 42.34 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 119.922 1.237 . . . . 0.0 113.623 172.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -51.64 -34.88 39.85 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.596 1.158 . . . . 0.0 113.511 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -85.71 -20.56 29.15 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.036 1.734 . . . . 0.0 113.647 -170.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -166.48 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.4 m -123.14 12.86 9.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.056 1.342 . . . . 0.0 113.698 175.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.58 129.76 56.05 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 124.825 1.25 . . . . 0.0 112.477 -176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -59.72 -17.54 43.33 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.112 2.541 . . . . 0.0 117.212 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -125.08 -4.25 7.48 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.336 1.426 . . . . 0.0 113.814 -172.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -138.59 11.33 2.72 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.31 1.34 41.57 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 174.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -62.32 -50.62 70.91 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.894 -1.129 . . . . 0.0 113.278 -176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -99.33 -31.96 11.42 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 CA--C 1.544 0.742 0 CA-C-N 119.307 0.958 . . . . 0.0 113.196 -179.015 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 m -97.74 5.42 49.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.338 1.455 . . . . 0.0 113.771 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -104.99 127.32 28.97 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 125.205 1.402 . . . . 0.0 111.65 -175.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -56.41 -18.05 23.59 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.803 3.669 . . . . 0.0 118.272 -175.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -133.44 7.58 3.88 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.334 1.424 . . . . 0.0 114.502 -167.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 p -141.52 0.64 1.49 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.67 70.17 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.351 -1.468 . . . . 0.0 112.835 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -55.32 -28.71 55.48 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 171.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -61.48 1.82 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.897 0.879 . . . . 0.0 110.105 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 m . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -161.241 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.835 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.0 m -111.13 17.15 20.63 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.099 1.36 . . . . 0.0 113.015 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -90.09 126.32 57.49 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 125.242 1.417 . . . . 0.0 111.182 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -55.88 -19.49 25.64 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 124.253 3.302 . . . . 0.0 116.715 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -102.27 -28.94 11.97 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.157 1.344 . . . . 0.0 113.626 -168.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 p -143.44 1.11 1.18 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -154.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.55 65.08 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -57.24 -24.62 55.89 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.619 1.567 . . . . 0.0 114.24 172.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -29.36 20.98 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 113.386 -174.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 CA--C 1.54 0.574 0 CA-C-O 121.889 0.852 . . . . 0.0 111.659 -170.024 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.876 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 m -84.52 -8.17 59.02 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.944 1.297 . . . . 0.0 113.099 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -125.92 93.19 44.51 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 127.087 2.155 . . . . 0.0 111.663 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -56.29 -38.45 95.08 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.262 2.641 . . . . 0.0 115.335 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -70.11 -5.16 25.01 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -115.68 -30.72 6.06 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 127.124 2.17 . . . . 0.0 112.282 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.76 -30.36 22.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.302 1.041 . . . . 0.0 112.09 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -26.56 -44.38 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.676 3.19 . . . . 0.0 115.94 158.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.9 -7.11 20.69 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.818 1.647 . . . . 0.0 114.255 -175.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.112 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.835 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 m -79.49 -10.01 59.72 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -90.5 137.85 27.14 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 124.457 1.103 . . . . 0.0 112.745 -161.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -58.16 -21.89 53.72 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 123.063 2.508 . . . . 0.0 116.175 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -118.02 -63.54 1.41 Allowed 'General case' 0 C--N 1.348 0.539 0 CA-C-N 120.789 1.631 . . . . 0.0 109.04 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.268 8.5 p -69.42 -1.69 9.1 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -164.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.54 -24.68 1.39 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.414 1.086 . . . . 0.0 113.387 155.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.252 0.0 OUTLIER -66.47 3.88 0.87 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 170.188 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -130.31 -38.91 1.35 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 117.172 -1.394 . . . . 0.0 114.254 163.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 120.059 1.3 . . . . 0.0 113.774 -171.643 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.057 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -119.1 14.41 13.11 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.529 1.531 . . . . 0.0 114.202 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -89.0 137.66 29.55 Favored Pre-proline 0 CA--C 1.549 0.926 0 O-C-N 120.359 -1.463 . . . . 0.0 113.14 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -58.95 -21.17 56.76 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.65 2.9 . . . . 0.0 118.185 -178.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -112.48 -36.23 5.31 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.854 1.661 . . . . 0.0 112.653 -170.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.4 p -118.66 3.11 11.73 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -164.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.17 -26.9 69.02 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.652 1.181 . . . . 0.0 113.943 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 43.0 p-90 -49.48 -37.65 27.04 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 -168.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -31.77 10.84 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.813 1.245 . . . . 0.0 113.029 176.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 CA--C 1.544 0.73 0 CA-C-O 122.861 1.315 . . . . 0.0 114.365 -170.245 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -124.06 14.22 9.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.541 1.536 . . . . 0.0 113.356 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -80.71 134.65 53.5 Favored Pre-proline 0 CA--C 1.545 0.785 0 O-C-N 120.806 -1.183 . . . . 0.0 112.226 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -57.95 -30.75 90.85 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 122.836 2.357 . . . . 0.0 115.59 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -105.63 -33.24 8.12 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.535 -1.353 . . . . 0.0 111.318 -166.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.88 7.91 11.62 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -171.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.99 -11.36 56.69 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.107 -1.62 . . . . 0.0 113.532 161.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -39.92 -43.79 1.57 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 128.385 2.674 . . . . 0.0 116.227 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -111.37 -34.31 6.16 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.643 1.577 . . . . 0.0 112.641 164.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 CA--C 1.547 0.851 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -173.299 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -75.47 1.99 12.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.494 1.518 . . . . 0.0 114.824 174.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -128.02 134.78 26.61 Favored Pre-proline 0 CA--C 1.551 1.018 0 CA-C-N 120.328 1.422 . . . . 0.0 113.822 -172.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -59.29 -27.82 86.0 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.893 3.062 . . . . 0.0 117.262 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -103.92 -8.46 19.65 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 121.007 1.73 . . . . 0.0 113.091 -163.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 p -142.87 3.52 1.42 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.08 -31.13 3.16 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.856 -1.152 . . . . 0.0 112.266 161.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -23.75 -36.19 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 130.777 3.631 . . . . 0.0 118.467 162.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mmt-85 -133.87 -20.77 1.96 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.071 1.878 . . . . 0.0 116.071 173.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.478 0.938 0 CA-C-N 119.945 1.248 . . . . 0.0 112.753 -179.506 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -116.24 2.4 13.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.913 2.085 . . . . 0.0 113.726 172.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -123.87 90.59 50.52 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 126.268 1.827 . . . . 0.0 110.009 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -50.94 -41.88 54.28 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.257 3.304 . . . . 0.0 116.672 -164.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -78.91 4.19 14.88 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.639 -1.288 . . . . 0.0 114.455 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 t -115.05 -1.03 13.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.879 2.072 . . . . 0.0 112.064 169.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.92 -22.79 67.06 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.56 -1.338 . . . . 0.0 114.367 -170.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -53.45 -40.35 65.16 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.841 -1.162 . . . . 0.0 112.841 167.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -48.7 65.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.814 1.646 . . . . 0.0 110.352 -175.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.471 0.622 0 C-N-CA 125.123 1.369 . . . . 0.0 111.488 -176.58 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.877 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 m -89.72 14.34 12.02 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.366 1.466 . . . . 0.0 114.647 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -108.45 129.58 23.84 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.674 1.59 . . . . 0.0 111.422 171.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -69.65 -15.72 37.66 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.058 2.505 . . . . 0.0 116.874 -176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -120.14 -11.22 9.27 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.628 1.558 . . . . 0.0 112.432 -169.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -128.43 1.6 5.64 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 173.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.15 -25.64 33.52 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.922 1.692 . . . . 0.0 112.03 157.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -22.54 -62.29 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 131.183 3.793 . . . . 0.0 115.306 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.44 21.66 3.99 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.781 1.232 . . . . 0.0 113.292 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.47 0.529 0 O-C-N 121.494 -0.754 . . . . 0.0 111.392 163.282 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.97 40.1 3.69 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.331 1.452 . . . . 0.0 112.527 172.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -139.51 86.5 14.08 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.07 1.348 . . . . 0.0 112.247 171.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.37 -33.85 58.13 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.112 3.208 . . . . 0.0 115.837 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -71.61 1.23 6.94 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 t -131.9 -22.5 2.33 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.79 1.236 . . . . 0.0 113.233 164.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.49 40.07 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -60.95 -15.72 34.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.792 2.437 . . . . 0.0 116.392 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -121.8 -4.72 9.15 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 164.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 124.484 1.113 . . . . 0.0 113.835 175.158 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.827 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -118.32 24.21 11.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.916 1.686 . . . . 0.0 113.18 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -118.94 84.22 25.49 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.15 1.38 . . . . 0.0 109.844 161.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -54.78 -30.62 68.31 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 123.824 3.016 . . . . 0.0 115.7 -168.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -59.58 -14.25 12.6 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.374 1.469 . . . . 0.0 113.81 174.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 t -129.74 -1.39 4.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.511 2.724 . . . . 0.0 113.535 -174.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.89 -7.56 48.9 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -171.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -69.39 -18.96 63.82 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -168.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -123.99 -24.06 4.48 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.644 1.577 . . . . 0.0 113.875 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 CA--C 1.544 0.715 0 CA-C-N 119.872 1.215 . . . . 0.0 113.756 174.742 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.951 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.85 -21.17 3.91 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 -173.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.5 t -109.97 6.57 23.23 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.443 1.897 . . . . 0.0 112.489 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -132.45 79.64 64.8 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 126.146 1.778 . . . . 0.0 111.969 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -44.52 -38.98 12.55 Favored 'Trans proline' 0 CA--C 1.54 0.797 1 C-N-CA 125.32 4.013 . . . . 0.0 116.306 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -63.19 -6.51 4.43 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.282 1.833 . . . . 0.0 115.496 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -128.36 -20.5 3.68 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.533 1.533 . . . . 0.0 112.705 169.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.75 -29.37 64.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -175.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -52.98 -24.95 10.53 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.985 1.314 . . . . 0.0 114.35 170.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -85.75 -29.52 23.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.85 1.26 . . . . 0.0 113.251 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.1 m -115.01 163.87 14.97 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 -163.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 O-C-N 120.055 -1.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.197 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.31 -31.74 65.98 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -167.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.8 m -81.92 -5.45 58.29 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -124.01 78.84 58.53 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 126.809 2.044 . . . . 0.0 111.794 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -43.93 -35.68 7.42 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 125.033 3.822 . . . . 0.0 116.009 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -55.34 -32.56 62.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.406 1.482 . . . . 0.0 114.167 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -107.07 -20.95 13.15 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.332 1.053 . . . . 0.0 112.846 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.96 -33.99 40.13 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.256 -0.903 . . . . 0.0 112.037 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -21.82 -45.35 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 130.35 3.46 . . . . 0.0 116.491 156.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -95.07 -27.31 15.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.342 2.257 . . . . 0.0 113.184 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.0 m -108.75 -7.46 15.56 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -163.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 120.7 -1.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.12 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.97 -29.26 59.96 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.47 1.032 . . . . 0.0 113.634 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 m -78.47 -13.0 60.04 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 172.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -114.53 82.15 7.53 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.127 2.171 . . . . 0.0 109.777 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -51.71 -41.28 62.7 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.962 3.108 . . . . 0.0 114.508 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -58.13 -26.59 62.84 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.657 1.183 . . . . 0.0 113.28 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.6 t -100.29 -32.72 10.72 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.968 2.107 . . . . 0.0 112.59 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.16 -36.63 31.07 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.241 1.017 . . . . 0.0 111.872 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -32.28 -49.57 0.2 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.89 2.476 . . . . 0.0 116.469 163.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -106.87 11.47 29.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.249 1.42 . . . . 0.0 112.55 -174.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -76.04 140.64 42.03 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -170.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 O-C-N 120.86 -1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.01 -31.23 17.47 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.0 m -106.52 15.72 25.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.439 1.895 . . . . 0.0 114.187 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -119.04 87.24 33.75 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.622 1.569 . . . . 0.0 109.093 173.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.45 -28.0 26.37 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.401 3.401 . . . . 0.0 116.075 -172.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -78.29 -22.06 48.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.698 1.199 . . . . 0.0 114.088 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 t -113.09 -13.29 13.07 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.807 1.243 . . . . 0.0 112.95 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.22 62.21 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -50.57 -32.95 20.06 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -75.68 -22.47 56.67 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.906 1.682 . . . . 0.0 111.881 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.5 m -125.82 -159.26 0.89 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.616 1.567 . . . . 0.0 110.742 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 119.495 -2.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.02 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.86 -37.13 59.9 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.733 1.213 . . . . 0.0 114.162 -176.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.2 m -84.18 6.24 23.32 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.747 1.219 . . . . 0.0 114.214 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -111.6 102.77 54.12 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.676 1.59 . . . . 0.0 110.207 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.99 -24.11 18.52 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.842 3.028 . . . . 0.0 115.812 -173.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -99.07 -11.08 21.78 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.663 1.585 . . . . 0.0 113.872 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -121.66 -9.09 8.95 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.61 1.164 . . . . 0.0 113.369 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.95 -10.17 12.62 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -62.78 -36.03 81.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.921 1.288 . . . . 0.0 113.796 166.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.36 -38.47 21.97 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.747 1.219 . . . . 0.0 113.049 -167.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.1 m -122.8 145.46 48.4 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.448 1.099 . . . . 0.0 112.307 -169.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 120.89 -1.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.049 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.58 69.08 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -162.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.0 m -93.44 2.35 56.52 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -122.16 92.95 48.81 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.261 1.824 . . . . 0.0 110.051 174.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -54.53 -25.83 42.58 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 123.504 2.802 . . . . 0.0 114.602 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -66.61 -16.77 64.43 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 t -123.83 -11.61 7.66 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.214 1.37 . . . . 0.0 113.678 168.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.94 -35.24 64.01 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.532 -1.355 . . . . 0.0 114.135 -172.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -59.92 -26.4 65.9 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.962 2.105 . . . . 0.0 114.797 172.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 -72.94 -30.35 63.81 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.691 -1.256 . . . . 0.0 111.713 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m -116.77 44.11 2.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.971 1.708 . . . . 0.0 111.226 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 119.968 -1.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.784 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.27 -39.48 45.23 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.615 1.098 . . . . 0.0 113.955 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -98.23 19.56 14.01 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.519 1.928 . . . . 0.0 113.717 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -113.2 93.95 28.38 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 127.037 2.135 . . . . 0.0 108.378 169.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -57.94 -18.3 34.62 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.746 2.964 . . . . 0.0 116.813 -166.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.41 11.05 17.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.169 1.388 . . . . 0.0 114.04 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.5 t -122.56 -15.39 7.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.316 0.962 . . . . 0.0 112.93 168.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.54 -41.57 69.9 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -46.43 -36.36 6.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.787 1.635 . . . . 0.0 114.564 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -74.6 -24.86 58.95 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.265 1.426 . . . . 0.0 112.83 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.8 m -120.32 165.13 15.29 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 122.442 1.115 . . . . 0.0 113.802 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 120.652 -1.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.867 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.34 -30.53 60.44 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.674 1.589 . . . . 0.0 114.67 -176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.5 m -83.92 -0.06 49.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.483 1.513 . . . . 0.0 114.181 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -119.63 117.14 32.9 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 125.067 1.347 . . . . 0.0 111.781 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.16 -18.72 30.69 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.055 2.503 . . . . 0.0 116.982 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -120.38 0.67 10.61 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 121.044 1.747 . . . . 0.0 113.409 -166.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -126.71 -8.82 6.16 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 170.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.8 42.34 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 119.922 1.237 . . . . 0.0 113.623 172.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -51.64 -34.88 39.85 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.596 1.158 . . . . 0.0 113.511 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -85.71 -20.56 29.15 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.036 1.734 . . . . 0.0 113.647 -170.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m -123.13 -25.65 4.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -166.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 O-C-N 120.678 -1.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.945 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.55 -21.36 6.36 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.624 1.97 . . . . 0.0 115.925 -160.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.4 m -123.14 12.86 9.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.056 1.342 . . . . 0.0 113.698 175.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.58 129.76 56.05 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 124.825 1.25 . . . . 0.0 112.477 -176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -59.72 -17.54 43.33 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.112 2.541 . . . . 0.0 117.212 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -125.08 -4.25 7.48 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.336 1.426 . . . . 0.0 113.814 -172.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -138.59 11.33 2.72 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.31 1.34 41.57 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 174.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -62.32 -50.62 70.91 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.894 -1.129 . . . . 0.0 113.278 -176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -99.33 -31.96 11.42 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m -67.5 147.66 52.52 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.307 0.958 . . . . 0.0 113.196 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 120.862 -1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.042 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.93 -38.46 1.58 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.743 2.417 . . . . 0.0 114.796 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 m -97.74 5.42 49.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.338 1.455 . . . . 0.0 113.771 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -104.99 127.32 28.97 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 125.205 1.402 . . . . 0.0 111.65 -175.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -56.41 -18.05 23.59 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.803 3.669 . . . . 0.0 118.272 -175.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -133.44 7.58 3.88 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.334 1.424 . . . . 0.0 114.502 -167.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 p -141.52 0.64 1.49 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.67 70.17 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.351 -1.468 . . . . 0.0 112.835 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -55.32 -28.71 55.48 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 171.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -61.48 1.82 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.897 0.879 . . . . 0.0 110.105 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 m -96.59 -23.74 16.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -161.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 120.584 -1.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.027 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.4 -36.79 34.35 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 -168.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.0 m -111.13 17.15 20.63 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.099 1.36 . . . . 0.0 113.015 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -90.09 126.32 57.49 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 125.242 1.417 . . . . 0.0 111.182 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -55.88 -19.49 25.64 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 124.253 3.302 . . . . 0.0 116.715 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -102.27 -28.94 11.97 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.157 1.344 . . . . 0.0 113.626 -168.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 p -143.44 1.11 1.18 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -154.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.55 65.08 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -57.24 -24.62 55.89 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.619 1.567 . . . . 0.0 114.24 172.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -29.36 20.98 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 113.386 -174.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m -115.2 109.79 18.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.889 0.852 . . . . 0.0 111.659 -170.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 120.646 -1.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.176 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.08 -20.33 38.81 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.238 1.815 . . . . 0.0 115.069 -173.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 m -84.52 -8.17 59.02 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.944 1.297 . . . . 0.0 113.099 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -125.92 93.19 44.51 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 127.087 2.155 . . . . 0.0 111.663 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -56.29 -38.45 95.08 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.262 2.641 . . . . 0.0 115.335 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -70.11 -5.16 25.01 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -115.68 -30.72 6.06 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 127.124 2.17 . . . . 0.0 112.282 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.76 -30.36 22.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.302 1.041 . . . . 0.0 112.09 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -26.56 -44.38 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.676 3.19 . . . . 0.0 115.94 158.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.9 -7.11 20.69 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.818 1.647 . . . . 0.0 114.255 -175.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.33 -13.68 7.6 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.85 -35.84 15.56 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.932 1.242 . . . . 0.0 113.833 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 m -79.49 -10.01 59.72 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -90.5 137.85 27.14 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 124.457 1.103 . . . . 0.0 112.745 -161.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -58.16 -21.89 53.72 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 123.063 2.508 . . . . 0.0 116.175 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -118.02 -63.54 1.41 Allowed 'General case' 0 C--N 1.348 0.539 0 CA-C-N 120.789 1.631 . . . . 0.0 109.04 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.268 8.5 p -69.42 -1.69 9.1 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -164.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.54 -24.68 1.39 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.414 1.086 . . . . 0.0 113.387 155.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.252 0.0 OUTLIER -66.47 3.88 0.87 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 170.188 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -130.31 -38.91 1.35 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 117.172 -1.394 . . . . 0.0 114.254 163.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 m -113.48 152.24 30.41 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.059 1.3 . . . . 0.0 113.774 -171.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 O-C-N 120.856 -1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.327 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.07 -23.9 5.98 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 -164.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -119.1 14.41 13.11 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.529 1.531 . . . . 0.0 114.202 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -89.0 137.66 29.55 Favored Pre-proline 0 CA--C 1.549 0.926 0 O-C-N 120.359 -1.463 . . . . 0.0 113.14 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -58.95 -21.17 56.76 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.65 2.9 . . . . 0.0 118.185 -178.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -112.48 -36.23 5.31 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.854 1.661 . . . . 0.0 112.653 -170.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.4 p -118.66 3.11 11.73 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -164.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.17 -26.9 69.02 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.652 1.181 . . . . 0.0 113.943 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 43.0 p-90 -49.48 -37.65 27.04 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 -168.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -31.77 10.84 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.813 1.245 . . . . 0.0 113.029 176.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.3 m -73.8 144.79 45.42 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 122.861 1.315 . . . . 0.0 114.365 -170.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.635 0 O-C-N 120.283 -1.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.99 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.6 -27.32 2.73 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.534 1.934 . . . . 0.0 116.066 -162.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -124.06 14.22 9.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.541 1.536 . . . . 0.0 113.356 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -80.71 134.65 53.5 Favored Pre-proline 0 CA--C 1.545 0.785 0 O-C-N 120.806 -1.183 . . . . 0.0 112.226 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -57.95 -30.75 90.85 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 122.836 2.357 . . . . 0.0 115.59 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -105.63 -33.24 8.12 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.535 -1.353 . . . . 0.0 111.318 -166.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.88 7.91 11.62 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -171.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.99 -11.36 56.69 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.107 -1.62 . . . . 0.0 113.532 161.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -39.92 -43.79 1.57 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 128.385 2.674 . . . . 0.0 116.227 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -111.37 -34.31 6.16 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.643 1.577 . . . . 0.0 112.641 164.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -62.15 142.56 57.55 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -173.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 O-C-N 119.673 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.842 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.51 -35.91 54.17 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.73 1.15 . . . . 0.0 111.975 166.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -75.47 1.99 12.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.494 1.518 . . . . 0.0 114.824 174.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -128.02 134.78 26.61 Favored Pre-proline 0 CA--C 1.551 1.018 0 CA-C-N 120.328 1.422 . . . . 0.0 113.822 -172.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -59.29 -27.82 86.0 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.893 3.062 . . . . 0.0 117.262 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -103.92 -8.46 19.65 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 121.007 1.73 . . . . 0.0 113.091 -163.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 p -142.87 3.52 1.42 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.08 -31.13 3.16 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.856 -1.152 . . . . 0.0 112.266 161.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -23.75 -36.19 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 130.777 3.631 . . . . 0.0 118.467 162.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mmt-85 -133.87 -20.77 1.96 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.071 1.878 . . . . 0.0 116.071 173.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 m -101.97 139.44 37.6 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.945 1.248 . . . . 0.0 112.753 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 121.118 -0.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.061 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.2 -9.63 8.31 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 165.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -116.24 2.4 13.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.913 2.085 . . . . 0.0 113.726 172.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -123.87 90.59 50.52 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 126.268 1.827 . . . . 0.0 110.009 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -50.94 -41.88 54.28 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.257 3.304 . . . . 0.0 116.672 -164.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -78.91 4.19 14.88 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.639 -1.288 . . . . 0.0 114.455 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 t -115.05 -1.03 13.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.879 2.072 . . . . 0.0 112.064 169.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.92 -22.79 67.06 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.56 -1.338 . . . . 0.0 114.367 -170.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -53.45 -40.35 65.16 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.841 -1.162 . . . . 0.0 112.841 167.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -48.7 65.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.814 1.646 . . . . 0.0 110.352 -175.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 m -130.89 121.09 24.6 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.123 1.369 . . . . 0.0 111.488 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 121.389 -0.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.953 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.93 -42.05 17.08 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -174.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 m -89.72 14.34 12.02 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.366 1.466 . . . . 0.0 114.647 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -108.45 129.58 23.84 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.674 1.59 . . . . 0.0 111.422 171.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -69.65 -15.72 37.66 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.058 2.505 . . . . 0.0 116.874 -176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -120.14 -11.22 9.27 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.628 1.558 . . . . 0.0 112.432 -169.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -128.43 1.6 5.64 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 173.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.15 -25.64 33.52 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.922 1.692 . . . . 0.0 112.03 157.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -22.54 -62.29 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 131.183 3.793 . . . . 0.0 115.306 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.44 21.66 3.99 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.781 1.232 . . . . 0.0 113.292 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -90.91 145.07 25.05 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.494 -0.754 . . . . 0.0 111.392 163.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 120.869 -1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.065 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -47.98 -26.44 1.76 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.605 1.962 . . . . 0.0 115.458 -170.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.97 40.1 3.69 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.331 1.452 . . . . 0.0 112.527 172.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -139.51 86.5 14.08 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.07 1.348 . . . . 0.0 112.247 171.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.37 -33.85 58.13 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.112 3.208 . . . . 0.0 115.837 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -71.61 1.23 6.94 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 t -131.9 -22.5 2.33 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.79 1.236 . . . . 0.0 113.233 164.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.49 40.07 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -60.95 -15.72 34.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.792 2.437 . . . . 0.0 116.392 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -121.8 -4.72 9.15 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 164.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -91.46 29.47 1.47 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.484 1.113 . . . . 0.0 113.835 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.976 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.31 -31.73 6.41 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.422 1.889 . . . . 0.0 115.606 -167.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -118.32 24.21 11.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.916 1.686 . . . . 0.0 113.18 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -118.94 84.22 25.49 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.15 1.38 . . . . 0.0 109.844 161.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -54.78 -30.62 68.31 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 123.824 3.016 . . . . 0.0 115.7 -168.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -59.58 -14.25 12.6 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.374 1.469 . . . . 0.0 113.81 174.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 t -129.74 -1.39 4.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.511 2.724 . . . . 0.0 113.535 -174.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.89 -7.56 48.9 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -171.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -69.39 -18.96 63.82 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -168.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -123.99 -24.06 4.48 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.644 1.577 . . . . 0.0 113.875 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.37 148.36 37.43 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.872 1.215 . . . . 0.0 113.756 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 120.646 -1.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.924 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.5 t -109.97 6.57 23.23 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.443 1.897 . . . . 0.0 112.489 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -132.45 79.64 64.8 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 126.146 1.778 . . . . 0.0 111.969 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -44.52 -38.98 12.55 Favored 'Trans proline' 0 CA--C 1.54 0.797 1 C-N-CA 125.32 4.013 . . . . 0.0 116.306 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -63.19 -6.51 4.43 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.282 1.833 . . . . 0.0 115.496 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -128.36 -20.5 3.68 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.533 1.533 . . . . 0.0 112.705 169.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.75 -29.37 64.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -175.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -52.98 -24.95 10.53 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.985 1.314 . . . . 0.0 114.35 170.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -85.75 -29.52 23.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.85 1.26 . . . . 0.0 113.251 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 CA--C 1.544 0.725 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 -163.639 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.023 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.8 m -81.92 -5.45 58.29 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -124.01 78.84 58.53 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 126.809 2.044 . . . . 0.0 111.794 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -43.93 -35.68 7.42 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 125.033 3.822 . . . . 0.0 116.009 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -55.34 -32.56 62.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.406 1.482 . . . . 0.0 114.167 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -107.07 -20.95 13.15 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.332 1.053 . . . . 0.0 112.846 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.96 -33.99 40.13 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.256 -0.903 . . . . 0.0 112.037 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -21.82 -45.35 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 130.35 3.46 . . . . 0.0 116.491 156.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -95.07 -27.31 15.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.342 2.257 . . . . 0.0 113.184 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -163.663 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.841 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 m -78.47 -13.0 60.04 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 172.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -114.53 82.15 7.53 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.127 2.171 . . . . 0.0 109.777 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -51.71 -41.28 62.7 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.962 3.108 . . . . 0.0 114.508 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -58.13 -26.59 62.84 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.657 1.183 . . . . 0.0 113.28 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.6 t -100.29 -32.72 10.72 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.968 2.107 . . . . 0.0 112.59 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.16 -36.63 31.07 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.241 1.017 . . . . 0.0 111.872 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -32.28 -49.57 0.2 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.89 2.476 . . . . 0.0 116.469 163.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -106.87 11.47 29.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.249 1.42 . . . . 0.0 112.55 -174.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -170.196 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.0 m -106.52 15.72 25.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.439 1.895 . . . . 0.0 114.187 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -119.04 87.24 33.75 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.622 1.569 . . . . 0.0 109.093 173.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.45 -28.0 26.37 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.401 3.401 . . . . 0.0 116.075 -172.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -78.29 -22.06 48.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.698 1.199 . . . . 0.0 114.088 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 t -113.09 -13.29 13.07 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.807 1.243 . . . . 0.0 112.95 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.22 62.21 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -50.57 -32.95 20.06 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -75.68 -22.47 56.67 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.906 1.682 . . . . 0.0 111.881 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 125.616 1.567 . . . . 0.0 110.742 179.661 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.821 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.2 m -84.18 6.24 23.32 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.747 1.219 . . . . 0.0 114.214 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -111.6 102.77 54.12 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.676 1.59 . . . . 0.0 110.207 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.99 -24.11 18.52 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.842 3.028 . . . . 0.0 115.812 -173.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -99.07 -11.08 21.78 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.663 1.585 . . . . 0.0 113.872 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -121.66 -9.09 8.95 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.61 1.164 . . . . 0.0 113.369 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.95 -10.17 12.62 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -62.78 -36.03 81.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.921 1.288 . . . . 0.0 113.796 166.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.36 -38.47 21.97 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.747 1.219 . . . . 0.0 113.049 -167.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.471 0.599 0 C-N-CA 124.448 1.099 . . . . 0.0 112.307 -169.449 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.0 m -93.44 2.35 56.52 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -122.16 92.95 48.81 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.261 1.824 . . . . 0.0 110.051 174.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -54.53 -25.83 42.58 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 123.504 2.802 . . . . 0.0 114.602 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -66.61 -16.77 64.43 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 t -123.83 -11.61 7.66 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.214 1.37 . . . . 0.0 113.678 168.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.94 -35.24 64.01 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.532 -1.355 . . . . 0.0 114.135 -172.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -59.92 -26.4 65.9 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.962 2.105 . . . . 0.0 114.797 172.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 -72.94 -30.35 63.81 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.691 -1.256 . . . . 0.0 111.713 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 125.971 1.708 . . . . 0.0 111.226 -176.152 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -98.23 19.56 14.01 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.519 1.928 . . . . 0.0 113.717 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -113.2 93.95 28.38 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 127.037 2.135 . . . . 0.0 108.378 169.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -57.94 -18.3 34.62 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.746 2.964 . . . . 0.0 116.813 -166.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.41 11.05 17.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.169 1.388 . . . . 0.0 114.04 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.5 t -122.56 -15.39 7.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.316 0.962 . . . . 0.0 112.93 168.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.54 -41.57 69.9 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -46.43 -36.36 6.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.787 1.635 . . . . 0.0 114.564 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -74.6 -24.86 58.95 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.265 1.426 . . . . 0.0 112.83 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.8 m . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 122.442 1.115 . . . . 0.0 113.802 -174.537 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.5 m -83.92 -0.06 49.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.483 1.513 . . . . 0.0 114.181 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -119.63 117.14 32.9 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 125.067 1.347 . . . . 0.0 111.781 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.16 -18.72 30.69 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.055 2.503 . . . . 0.0 116.982 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -120.38 0.67 10.61 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 121.044 1.747 . . . . 0.0 113.409 -166.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -126.71 -8.82 6.16 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 170.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.8 42.34 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 119.922 1.237 . . . . 0.0 113.623 172.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -51.64 -34.88 39.85 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.596 1.158 . . . . 0.0 113.511 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -85.71 -20.56 29.15 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.036 1.734 . . . . 0.0 113.647 -170.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -166.48 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.4 m -123.14 12.86 9.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.056 1.342 . . . . 0.0 113.698 175.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.58 129.76 56.05 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 124.825 1.25 . . . . 0.0 112.477 -176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -59.72 -17.54 43.33 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.112 2.541 . . . . 0.0 117.212 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -125.08 -4.25 7.48 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.336 1.426 . . . . 0.0 113.814 -172.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -138.59 11.33 2.72 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.31 1.34 41.57 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 174.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -62.32 -50.62 70.91 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.894 -1.129 . . . . 0.0 113.278 -176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -99.33 -31.96 11.42 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 CA--C 1.544 0.742 0 CA-C-N 119.307 0.958 . . . . 0.0 113.196 -179.015 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 m -97.74 5.42 49.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.338 1.455 . . . . 0.0 113.771 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -104.99 127.32 28.97 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 125.205 1.402 . . . . 0.0 111.65 -175.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -56.41 -18.05 23.59 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.803 3.669 . . . . 0.0 118.272 -175.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -133.44 7.58 3.88 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.334 1.424 . . . . 0.0 114.502 -167.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 p -141.52 0.64 1.49 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.67 70.17 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.351 -1.468 . . . . 0.0 112.835 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -55.32 -28.71 55.48 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 171.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -61.48 1.82 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.897 0.879 . . . . 0.0 110.105 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 m . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -161.241 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.835 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.0 m -111.13 17.15 20.63 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.099 1.36 . . . . 0.0 113.015 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -90.09 126.32 57.49 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 125.242 1.417 . . . . 0.0 111.182 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -55.88 -19.49 25.64 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 124.253 3.302 . . . . 0.0 116.715 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -102.27 -28.94 11.97 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.157 1.344 . . . . 0.0 113.626 -168.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 p -143.44 1.11 1.18 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -154.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.55 65.08 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -57.24 -24.62 55.89 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.619 1.567 . . . . 0.0 114.24 172.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -29.36 20.98 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 113.386 -174.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 CA--C 1.54 0.574 0 CA-C-O 121.889 0.852 . . . . 0.0 111.659 -170.024 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.876 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 m -84.52 -8.17 59.02 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.944 1.297 . . . . 0.0 113.099 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -125.92 93.19 44.51 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 127.087 2.155 . . . . 0.0 111.663 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -56.29 -38.45 95.08 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.262 2.641 . . . . 0.0 115.335 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -70.11 -5.16 25.01 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -115.68 -30.72 6.06 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 127.124 2.17 . . . . 0.0 112.282 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.76 -30.36 22.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.302 1.041 . . . . 0.0 112.09 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -26.56 -44.38 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.676 3.19 . . . . 0.0 115.94 158.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.9 -7.11 20.69 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.818 1.647 . . . . 0.0 114.255 -175.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.112 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.835 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 m -79.49 -10.01 59.72 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -90.5 137.85 27.14 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 124.457 1.103 . . . . 0.0 112.745 -161.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -58.16 -21.89 53.72 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 123.063 2.508 . . . . 0.0 116.175 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -118.02 -63.54 1.41 Allowed 'General case' 0 C--N 1.348 0.539 0 CA-C-N 120.789 1.631 . . . . 0.0 109.04 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.268 8.5 p -69.42 -1.69 9.1 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -164.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.54 -24.68 1.39 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.414 1.086 . . . . 0.0 113.387 155.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.252 0.0 OUTLIER -66.47 3.88 0.87 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 170.188 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -130.31 -38.91 1.35 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 117.172 -1.394 . . . . 0.0 114.254 163.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 120.059 1.3 . . . . 0.0 113.774 -171.643 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.057 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -119.1 14.41 13.11 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.529 1.531 . . . . 0.0 114.202 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -89.0 137.66 29.55 Favored Pre-proline 0 CA--C 1.549 0.926 0 O-C-N 120.359 -1.463 . . . . 0.0 113.14 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -58.95 -21.17 56.76 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.65 2.9 . . . . 0.0 118.185 -178.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -112.48 -36.23 5.31 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.854 1.661 . . . . 0.0 112.653 -170.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.4 p -118.66 3.11 11.73 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -164.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.17 -26.9 69.02 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.652 1.181 . . . . 0.0 113.943 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 43.0 p-90 -49.48 -37.65 27.04 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 -168.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -31.77 10.84 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.813 1.245 . . . . 0.0 113.029 176.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 CA--C 1.544 0.73 0 CA-C-O 122.861 1.315 . . . . 0.0 114.365 -170.245 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -124.06 14.22 9.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.541 1.536 . . . . 0.0 113.356 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -80.71 134.65 53.5 Favored Pre-proline 0 CA--C 1.545 0.785 0 O-C-N 120.806 -1.183 . . . . 0.0 112.226 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -57.95 -30.75 90.85 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 122.836 2.357 . . . . 0.0 115.59 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -105.63 -33.24 8.12 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.535 -1.353 . . . . 0.0 111.318 -166.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.88 7.91 11.62 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -171.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.99 -11.36 56.69 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.107 -1.62 . . . . 0.0 113.532 161.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -39.92 -43.79 1.57 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 128.385 2.674 . . . . 0.0 116.227 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -111.37 -34.31 6.16 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.643 1.577 . . . . 0.0 112.641 164.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 CA--C 1.547 0.851 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -173.299 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -75.47 1.99 12.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.494 1.518 . . . . 0.0 114.824 174.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -128.02 134.78 26.61 Favored Pre-proline 0 CA--C 1.551 1.018 0 CA-C-N 120.328 1.422 . . . . 0.0 113.822 -172.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -59.29 -27.82 86.0 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.893 3.062 . . . . 0.0 117.262 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -103.92 -8.46 19.65 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 121.007 1.73 . . . . 0.0 113.091 -163.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 p -142.87 3.52 1.42 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.08 -31.13 3.16 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.856 -1.152 . . . . 0.0 112.266 161.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -23.75 -36.19 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 130.777 3.631 . . . . 0.0 118.467 162.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mmt-85 -133.87 -20.77 1.96 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.071 1.878 . . . . 0.0 116.071 173.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.478 0.938 0 CA-C-N 119.945 1.248 . . . . 0.0 112.753 -179.506 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -116.24 2.4 13.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.913 2.085 . . . . 0.0 113.726 172.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -123.87 90.59 50.52 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 126.268 1.827 . . . . 0.0 110.009 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -50.94 -41.88 54.28 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.257 3.304 . . . . 0.0 116.672 -164.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -78.91 4.19 14.88 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.639 -1.288 . . . . 0.0 114.455 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 t -115.05 -1.03 13.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.879 2.072 . . . . 0.0 112.064 169.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.92 -22.79 67.06 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.56 -1.338 . . . . 0.0 114.367 -170.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -53.45 -40.35 65.16 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.841 -1.162 . . . . 0.0 112.841 167.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -48.7 65.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.814 1.646 . . . . 0.0 110.352 -175.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.471 0.622 0 C-N-CA 125.123 1.369 . . . . 0.0 111.488 -176.58 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.877 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 m -89.72 14.34 12.02 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.366 1.466 . . . . 0.0 114.647 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -108.45 129.58 23.84 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.674 1.59 . . . . 0.0 111.422 171.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -69.65 -15.72 37.66 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.058 2.505 . . . . 0.0 116.874 -176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -120.14 -11.22 9.27 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.628 1.558 . . . . 0.0 112.432 -169.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -128.43 1.6 5.64 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 173.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.15 -25.64 33.52 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.922 1.692 . . . . 0.0 112.03 157.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -22.54 -62.29 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 131.183 3.793 . . . . 0.0 115.306 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.44 21.66 3.99 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.781 1.232 . . . . 0.0 113.292 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.47 0.529 0 O-C-N 121.494 -0.754 . . . . 0.0 111.392 163.282 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.97 40.1 3.69 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.331 1.452 . . . . 0.0 112.527 172.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -139.51 86.5 14.08 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.07 1.348 . . . . 0.0 112.247 171.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.37 -33.85 58.13 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.112 3.208 . . . . 0.0 115.837 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -71.61 1.23 6.94 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 t -131.9 -22.5 2.33 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.79 1.236 . . . . 0.0 113.233 164.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.49 40.07 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -60.95 -15.72 34.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.792 2.437 . . . . 0.0 116.392 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -121.8 -4.72 9.15 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 164.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 124.484 1.113 . . . . 0.0 113.835 175.158 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.827 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -118.32 24.21 11.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.916 1.686 . . . . 0.0 113.18 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -118.94 84.22 25.49 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.15 1.38 . . . . 0.0 109.844 161.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -54.78 -30.62 68.31 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 123.824 3.016 . . . . 0.0 115.7 -168.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -59.58 -14.25 12.6 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.374 1.469 . . . . 0.0 113.81 174.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 t -129.74 -1.39 4.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.511 2.724 . . . . 0.0 113.535 -174.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.89 -7.56 48.9 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -171.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -69.39 -18.96 63.82 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -168.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -123.99 -24.06 4.48 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.644 1.577 . . . . 0.0 113.875 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 CA--C 1.544 0.715 0 CA-C-N 119.872 1.215 . . . . 0.0 113.756 174.742 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.951 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.85 -21.17 3.91 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 -173.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.5 t -109.97 6.57 23.23 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.443 1.897 . . . . 0.0 112.489 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -132.45 79.64 64.8 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 126.146 1.778 . . . . 0.0 111.969 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -44.52 -38.98 12.55 Favored 'Trans proline' 0 CA--C 1.54 0.797 1 C-N-CA 125.32 4.013 . . . . 0.0 116.306 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -63.19 -6.51 4.43 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.282 1.833 . . . . 0.0 115.496 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -128.36 -20.5 3.68 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.533 1.533 . . . . 0.0 112.705 169.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.75 -29.37 64.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -175.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -52.98 -24.95 10.53 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.985 1.314 . . . . 0.0 114.35 170.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -85.75 -29.52 23.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.85 1.26 . . . . 0.0 113.251 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.1 m -115.01 163.87 14.97 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 -163.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 O-C-N 120.055 -1.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.197 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.31 -31.74 65.98 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -167.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.8 m -81.92 -5.45 58.29 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -124.01 78.84 58.53 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 126.809 2.044 . . . . 0.0 111.794 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -43.93 -35.68 7.42 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 125.033 3.822 . . . . 0.0 116.009 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -55.34 -32.56 62.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.406 1.482 . . . . 0.0 114.167 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -107.07 -20.95 13.15 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.332 1.053 . . . . 0.0 112.846 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.96 -33.99 40.13 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.256 -0.903 . . . . 0.0 112.037 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -21.82 -45.35 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 130.35 3.46 . . . . 0.0 116.491 156.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -95.07 -27.31 15.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.342 2.257 . . . . 0.0 113.184 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.0 m -108.75 -7.46 15.56 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -163.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 120.7 -1.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.12 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.97 -29.26 59.96 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.47 1.032 . . . . 0.0 113.634 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 m -78.47 -13.0 60.04 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 172.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -114.53 82.15 7.53 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.127 2.171 . . . . 0.0 109.777 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -51.71 -41.28 62.7 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.962 3.108 . . . . 0.0 114.508 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -58.13 -26.59 62.84 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.657 1.183 . . . . 0.0 113.28 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.6 t -100.29 -32.72 10.72 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.968 2.107 . . . . 0.0 112.59 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.16 -36.63 31.07 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.241 1.017 . . . . 0.0 111.872 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -32.28 -49.57 0.2 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.89 2.476 . . . . 0.0 116.469 163.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -106.87 11.47 29.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.249 1.42 . . . . 0.0 112.55 -174.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -76.04 140.64 42.03 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -170.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 O-C-N 120.86 -1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.01 -31.23 17.47 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.0 m -106.52 15.72 25.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.439 1.895 . . . . 0.0 114.187 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -119.04 87.24 33.75 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.622 1.569 . . . . 0.0 109.093 173.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.45 -28.0 26.37 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.401 3.401 . . . . 0.0 116.075 -172.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -78.29 -22.06 48.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.698 1.199 . . . . 0.0 114.088 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 t -113.09 -13.29 13.07 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.807 1.243 . . . . 0.0 112.95 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.22 62.21 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -50.57 -32.95 20.06 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -75.68 -22.47 56.67 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.906 1.682 . . . . 0.0 111.881 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.5 m -125.82 -159.26 0.89 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.616 1.567 . . . . 0.0 110.742 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 119.495 -2.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.02 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.86 -37.13 59.9 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.733 1.213 . . . . 0.0 114.162 -176.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.2 m -84.18 6.24 23.32 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.747 1.219 . . . . 0.0 114.214 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -111.6 102.77 54.12 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.676 1.59 . . . . 0.0 110.207 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.99 -24.11 18.52 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.842 3.028 . . . . 0.0 115.812 -173.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -99.07 -11.08 21.78 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.663 1.585 . . . . 0.0 113.872 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -121.66 -9.09 8.95 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.61 1.164 . . . . 0.0 113.369 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.95 -10.17 12.62 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -62.78 -36.03 81.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.921 1.288 . . . . 0.0 113.796 166.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.36 -38.47 21.97 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.747 1.219 . . . . 0.0 113.049 -167.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.1 m -122.8 145.46 48.4 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.448 1.099 . . . . 0.0 112.307 -169.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 120.89 -1.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.049 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.58 69.08 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -162.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.0 m -93.44 2.35 56.52 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -122.16 92.95 48.81 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.261 1.824 . . . . 0.0 110.051 174.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -54.53 -25.83 42.58 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 123.504 2.802 . . . . 0.0 114.602 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -66.61 -16.77 64.43 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 t -123.83 -11.61 7.66 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.214 1.37 . . . . 0.0 113.678 168.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.94 -35.24 64.01 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.532 -1.355 . . . . 0.0 114.135 -172.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -59.92 -26.4 65.9 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.962 2.105 . . . . 0.0 114.797 172.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 -72.94 -30.35 63.81 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.691 -1.256 . . . . 0.0 111.713 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m -116.77 44.11 2.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.971 1.708 . . . . 0.0 111.226 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 119.968 -1.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.784 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.27 -39.48 45.23 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.615 1.098 . . . . 0.0 113.955 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -98.23 19.56 14.01 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.519 1.928 . . . . 0.0 113.717 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -113.2 93.95 28.38 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 127.037 2.135 . . . . 0.0 108.378 169.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -57.94 -18.3 34.62 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.746 2.964 . . . . 0.0 116.813 -166.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.41 11.05 17.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.169 1.388 . . . . 0.0 114.04 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.5 t -122.56 -15.39 7.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.316 0.962 . . . . 0.0 112.93 168.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.54 -41.57 69.9 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -46.43 -36.36 6.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.787 1.635 . . . . 0.0 114.564 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -74.6 -24.86 58.95 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.265 1.426 . . . . 0.0 112.83 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.8 m -120.32 165.13 15.29 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 122.442 1.115 . . . . 0.0 113.802 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 120.652 -1.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.867 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.34 -30.53 60.44 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.674 1.589 . . . . 0.0 114.67 -176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.5 m -83.92 -0.06 49.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.483 1.513 . . . . 0.0 114.181 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -119.63 117.14 32.9 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 125.067 1.347 . . . . 0.0 111.781 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.16 -18.72 30.69 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.055 2.503 . . . . 0.0 116.982 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -120.38 0.67 10.61 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 121.044 1.747 . . . . 0.0 113.409 -166.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -126.71 -8.82 6.16 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 170.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.8 42.34 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 119.922 1.237 . . . . 0.0 113.623 172.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -51.64 -34.88 39.85 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.596 1.158 . . . . 0.0 113.511 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -85.71 -20.56 29.15 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.036 1.734 . . . . 0.0 113.647 -170.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m -123.13 -25.65 4.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -166.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 O-C-N 120.678 -1.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.945 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.55 -21.36 6.36 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.624 1.97 . . . . 0.0 115.925 -160.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.4 m -123.14 12.86 9.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.056 1.342 . . . . 0.0 113.698 175.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.58 129.76 56.05 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 124.825 1.25 . . . . 0.0 112.477 -176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -59.72 -17.54 43.33 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.112 2.541 . . . . 0.0 117.212 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -125.08 -4.25 7.48 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.336 1.426 . . . . 0.0 113.814 -172.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -138.59 11.33 2.72 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.31 1.34 41.57 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 174.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -62.32 -50.62 70.91 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.894 -1.129 . . . . 0.0 113.278 -176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -99.33 -31.96 11.42 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m -67.5 147.66 52.52 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.307 0.958 . . . . 0.0 113.196 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 120.862 -1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.042 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.93 -38.46 1.58 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.743 2.417 . . . . 0.0 114.796 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 m -97.74 5.42 49.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.338 1.455 . . . . 0.0 113.771 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -104.99 127.32 28.97 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 125.205 1.402 . . . . 0.0 111.65 -175.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -56.41 -18.05 23.59 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.803 3.669 . . . . 0.0 118.272 -175.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -133.44 7.58 3.88 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.334 1.424 . . . . 0.0 114.502 -167.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 p -141.52 0.64 1.49 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.67 70.17 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.351 -1.468 . . . . 0.0 112.835 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -55.32 -28.71 55.48 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 171.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -61.48 1.82 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.897 0.879 . . . . 0.0 110.105 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 m -96.59 -23.74 16.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -161.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 120.584 -1.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.027 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.4 -36.79 34.35 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 -168.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.0 m -111.13 17.15 20.63 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.099 1.36 . . . . 0.0 113.015 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -90.09 126.32 57.49 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 125.242 1.417 . . . . 0.0 111.182 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -55.88 -19.49 25.64 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 124.253 3.302 . . . . 0.0 116.715 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -102.27 -28.94 11.97 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.157 1.344 . . . . 0.0 113.626 -168.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 p -143.44 1.11 1.18 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -154.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.55 65.08 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -57.24 -24.62 55.89 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.619 1.567 . . . . 0.0 114.24 172.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -29.36 20.98 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 113.386 -174.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m -115.2 109.79 18.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.889 0.852 . . . . 0.0 111.659 -170.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 120.646 -1.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.176 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.08 -20.33 38.81 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.238 1.815 . . . . 0.0 115.069 -173.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 m -84.52 -8.17 59.02 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.944 1.297 . . . . 0.0 113.099 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -125.92 93.19 44.51 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 127.087 2.155 . . . . 0.0 111.663 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -56.29 -38.45 95.08 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.262 2.641 . . . . 0.0 115.335 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -70.11 -5.16 25.01 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -115.68 -30.72 6.06 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 127.124 2.17 . . . . 0.0 112.282 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.76 -30.36 22.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.302 1.041 . . . . 0.0 112.09 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -26.56 -44.38 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.676 3.19 . . . . 0.0 115.94 158.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.9 -7.11 20.69 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.818 1.647 . . . . 0.0 114.255 -175.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.33 -13.68 7.6 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.85 -35.84 15.56 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.932 1.242 . . . . 0.0 113.833 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 m -79.49 -10.01 59.72 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -90.5 137.85 27.14 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 124.457 1.103 . . . . 0.0 112.745 -161.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -58.16 -21.89 53.72 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 123.063 2.508 . . . . 0.0 116.175 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -118.02 -63.54 1.41 Allowed 'General case' 0 C--N 1.348 0.539 0 CA-C-N 120.789 1.631 . . . . 0.0 109.04 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.268 8.5 p -69.42 -1.69 9.1 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -164.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.54 -24.68 1.39 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.414 1.086 . . . . 0.0 113.387 155.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.252 0.0 OUTLIER -66.47 3.88 0.87 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 170.188 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -130.31 -38.91 1.35 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 117.172 -1.394 . . . . 0.0 114.254 163.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 m -113.48 152.24 30.41 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.059 1.3 . . . . 0.0 113.774 -171.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 O-C-N 120.856 -1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.327 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.07 -23.9 5.98 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 -164.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -119.1 14.41 13.11 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.529 1.531 . . . . 0.0 114.202 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -89.0 137.66 29.55 Favored Pre-proline 0 CA--C 1.549 0.926 0 O-C-N 120.359 -1.463 . . . . 0.0 113.14 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -58.95 -21.17 56.76 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.65 2.9 . . . . 0.0 118.185 -178.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -112.48 -36.23 5.31 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.854 1.661 . . . . 0.0 112.653 -170.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.4 p -118.66 3.11 11.73 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -164.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.17 -26.9 69.02 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.652 1.181 . . . . 0.0 113.943 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 43.0 p-90 -49.48 -37.65 27.04 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 -168.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -31.77 10.84 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.813 1.245 . . . . 0.0 113.029 176.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.3 m -73.8 144.79 45.42 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 122.861 1.315 . . . . 0.0 114.365 -170.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.635 0 O-C-N 120.283 -1.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.99 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.6 -27.32 2.73 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.534 1.934 . . . . 0.0 116.066 -162.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -124.06 14.22 9.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.541 1.536 . . . . 0.0 113.356 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -80.71 134.65 53.5 Favored Pre-proline 0 CA--C 1.545 0.785 0 O-C-N 120.806 -1.183 . . . . 0.0 112.226 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -57.95 -30.75 90.85 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 122.836 2.357 . . . . 0.0 115.59 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -105.63 -33.24 8.12 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.535 -1.353 . . . . 0.0 111.318 -166.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.88 7.91 11.62 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -171.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.99 -11.36 56.69 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.107 -1.62 . . . . 0.0 113.532 161.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -39.92 -43.79 1.57 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 128.385 2.674 . . . . 0.0 116.227 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -111.37 -34.31 6.16 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.643 1.577 . . . . 0.0 112.641 164.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -62.15 142.56 57.55 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -173.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 O-C-N 119.673 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.842 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.51 -35.91 54.17 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.73 1.15 . . . . 0.0 111.975 166.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -75.47 1.99 12.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.494 1.518 . . . . 0.0 114.824 174.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -128.02 134.78 26.61 Favored Pre-proline 0 CA--C 1.551 1.018 0 CA-C-N 120.328 1.422 . . . . 0.0 113.822 -172.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -59.29 -27.82 86.0 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.893 3.062 . . . . 0.0 117.262 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -103.92 -8.46 19.65 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 121.007 1.73 . . . . 0.0 113.091 -163.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 p -142.87 3.52 1.42 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.08 -31.13 3.16 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.856 -1.152 . . . . 0.0 112.266 161.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -23.75 -36.19 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 130.777 3.631 . . . . 0.0 118.467 162.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mmt-85 -133.87 -20.77 1.96 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.071 1.878 . . . . 0.0 116.071 173.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 m -101.97 139.44 37.6 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.945 1.248 . . . . 0.0 112.753 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 121.118 -0.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.061 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.2 -9.63 8.31 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 165.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -116.24 2.4 13.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.913 2.085 . . . . 0.0 113.726 172.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -123.87 90.59 50.52 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 126.268 1.827 . . . . 0.0 110.009 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -50.94 -41.88 54.28 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.257 3.304 . . . . 0.0 116.672 -164.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -78.91 4.19 14.88 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.639 -1.288 . . . . 0.0 114.455 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 t -115.05 -1.03 13.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.879 2.072 . . . . 0.0 112.064 169.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.92 -22.79 67.06 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.56 -1.338 . . . . 0.0 114.367 -170.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -53.45 -40.35 65.16 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.841 -1.162 . . . . 0.0 112.841 167.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -48.7 65.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.814 1.646 . . . . 0.0 110.352 -175.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 m -130.89 121.09 24.6 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.123 1.369 . . . . 0.0 111.488 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 121.389 -0.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.953 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.93 -42.05 17.08 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -174.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 m -89.72 14.34 12.02 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.366 1.466 . . . . 0.0 114.647 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -108.45 129.58 23.84 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.674 1.59 . . . . 0.0 111.422 171.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -69.65 -15.72 37.66 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.058 2.505 . . . . 0.0 116.874 -176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -120.14 -11.22 9.27 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.628 1.558 . . . . 0.0 112.432 -169.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -128.43 1.6 5.64 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 173.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.15 -25.64 33.52 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.922 1.692 . . . . 0.0 112.03 157.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -22.54 -62.29 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 131.183 3.793 . . . . 0.0 115.306 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.44 21.66 3.99 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.781 1.232 . . . . 0.0 113.292 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -90.91 145.07 25.05 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.494 -0.754 . . . . 0.0 111.392 163.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 120.869 -1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.065 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -47.98 -26.44 1.76 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.605 1.962 . . . . 0.0 115.458 -170.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.97 40.1 3.69 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.331 1.452 . . . . 0.0 112.527 172.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -139.51 86.5 14.08 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.07 1.348 . . . . 0.0 112.247 171.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.37 -33.85 58.13 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.112 3.208 . . . . 0.0 115.837 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -71.61 1.23 6.94 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 t -131.9 -22.5 2.33 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.79 1.236 . . . . 0.0 113.233 164.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.49 40.07 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -60.95 -15.72 34.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.792 2.437 . . . . 0.0 116.392 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -121.8 -4.72 9.15 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 164.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -91.46 29.47 1.47 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.484 1.113 . . . . 0.0 113.835 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.976 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.31 -31.73 6.41 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.422 1.889 . . . . 0.0 115.606 -167.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -118.32 24.21 11.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.916 1.686 . . . . 0.0 113.18 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -118.94 84.22 25.49 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.15 1.38 . . . . 0.0 109.844 161.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -54.78 -30.62 68.31 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 123.824 3.016 . . . . 0.0 115.7 -168.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -59.58 -14.25 12.6 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.374 1.469 . . . . 0.0 113.81 174.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 t -129.74 -1.39 4.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.511 2.724 . . . . 0.0 113.535 -174.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.89 -7.56 48.9 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -171.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -69.39 -18.96 63.82 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -168.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -123.99 -24.06 4.48 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.644 1.577 . . . . 0.0 113.875 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.37 148.36 37.43 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.872 1.215 . . . . 0.0 113.756 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 120.646 -1.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.924 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.5 t -109.97 6.57 23.23 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.443 1.897 . . . . 0.0 112.489 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -132.45 79.64 64.8 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 126.146 1.778 . . . . 0.0 111.969 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -44.52 -38.98 12.55 Favored 'Trans proline' 0 CA--C 1.54 0.797 1 C-N-CA 125.32 4.013 . . . . 0.0 116.306 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -63.19 -6.51 4.43 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.282 1.833 . . . . 0.0 115.496 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -128.36 -20.5 3.68 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.533 1.533 . . . . 0.0 112.705 169.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.75 -29.37 64.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -175.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -52.98 -24.95 10.53 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.985 1.314 . . . . 0.0 114.35 170.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -85.75 -29.52 23.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.85 1.26 . . . . 0.0 113.251 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.1 m . . . . . 0 CA--C 1.544 0.725 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 -163.639 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.023 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.8 m -81.92 -5.45 58.29 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -124.01 78.84 58.53 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 126.809 2.044 . . . . 0.0 111.794 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -43.93 -35.68 7.42 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 125.033 3.822 . . . . 0.0 116.009 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -55.34 -32.56 62.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.406 1.482 . . . . 0.0 114.167 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -107.07 -20.95 13.15 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.332 1.053 . . . . 0.0 112.846 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.96 -33.99 40.13 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.256 -0.903 . . . . 0.0 112.037 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -21.82 -45.35 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 130.35 3.46 . . . . 0.0 116.491 156.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -95.07 -27.31 15.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.342 2.257 . . . . 0.0 113.184 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.0 m . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -163.663 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.841 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 m -78.47 -13.0 60.04 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 172.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -114.53 82.15 7.53 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.127 2.171 . . . . 0.0 109.777 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -51.71 -41.28 62.7 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.962 3.108 . . . . 0.0 114.508 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -58.13 -26.59 62.84 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.657 1.183 . . . . 0.0 113.28 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.6 t -100.29 -32.72 10.72 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.968 2.107 . . . . 0.0 112.59 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.16 -36.63 31.07 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.241 1.017 . . . . 0.0 111.872 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -32.28 -49.57 0.2 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.89 2.476 . . . . 0.0 116.469 163.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -106.87 11.47 29.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.249 1.42 . . . . 0.0 112.55 -174.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -170.196 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.0 m -106.52 15.72 25.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.439 1.895 . . . . 0.0 114.187 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -119.04 87.24 33.75 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.622 1.569 . . . . 0.0 109.093 173.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.45 -28.0 26.37 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.401 3.401 . . . . 0.0 116.075 -172.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -78.29 -22.06 48.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.698 1.199 . . . . 0.0 114.088 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 t -113.09 -13.29 13.07 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.807 1.243 . . . . 0.0 112.95 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.22 62.21 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -50.57 -32.95 20.06 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -75.68 -22.47 56.67 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.906 1.682 . . . . 0.0 111.881 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 125.616 1.567 . . . . 0.0 110.742 179.661 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.821 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.2 m -84.18 6.24 23.32 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.747 1.219 . . . . 0.0 114.214 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -111.6 102.77 54.12 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.676 1.59 . . . . 0.0 110.207 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.99 -24.11 18.52 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.842 3.028 . . . . 0.0 115.812 -173.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -99.07 -11.08 21.78 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.663 1.585 . . . . 0.0 113.872 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -121.66 -9.09 8.95 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.61 1.164 . . . . 0.0 113.369 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.95 -10.17 12.62 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -62.78 -36.03 81.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.921 1.288 . . . . 0.0 113.796 166.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.36 -38.47 21.97 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.747 1.219 . . . . 0.0 113.049 -167.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.471 0.599 0 C-N-CA 124.448 1.099 . . . . 0.0 112.307 -169.449 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.0 m -93.44 2.35 56.52 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -122.16 92.95 48.81 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.261 1.824 . . . . 0.0 110.051 174.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -54.53 -25.83 42.58 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 123.504 2.802 . . . . 0.0 114.602 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -66.61 -16.77 64.43 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 t -123.83 -11.61 7.66 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.214 1.37 . . . . 0.0 113.678 168.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.94 -35.24 64.01 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.532 -1.355 . . . . 0.0 114.135 -172.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -59.92 -26.4 65.9 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.962 2.105 . . . . 0.0 114.797 172.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 -72.94 -30.35 63.81 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.691 -1.256 . . . . 0.0 111.713 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 125.971 1.708 . . . . 0.0 111.226 -176.152 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.894 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -98.23 19.56 14.01 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.519 1.928 . . . . 0.0 113.717 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -113.2 93.95 28.38 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 127.037 2.135 . . . . 0.0 108.378 169.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -57.94 -18.3 34.62 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.746 2.964 . . . . 0.0 116.813 -166.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.41 11.05 17.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.169 1.388 . . . . 0.0 114.04 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.5 t -122.56 -15.39 7.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.316 0.962 . . . . 0.0 112.93 168.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.54 -41.57 69.9 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -46.43 -36.36 6.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.787 1.635 . . . . 0.0 114.564 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -74.6 -24.86 58.95 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.265 1.426 . . . . 0.0 112.83 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.8 m . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 122.442 1.115 . . . . 0.0 113.802 -174.537 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.5 m -83.92 -0.06 49.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.483 1.513 . . . . 0.0 114.181 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -119.63 117.14 32.9 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 125.067 1.347 . . . . 0.0 111.781 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.16 -18.72 30.69 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.055 2.503 . . . . 0.0 116.982 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -120.38 0.67 10.61 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 121.044 1.747 . . . . 0.0 113.409 -166.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -126.71 -8.82 6.16 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 170.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.8 42.34 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 119.922 1.237 . . . . 0.0 113.623 172.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -51.64 -34.88 39.85 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.596 1.158 . . . . 0.0 113.511 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -85.71 -20.56 29.15 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.036 1.734 . . . . 0.0 113.647 -170.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -166.48 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.4 m -123.14 12.86 9.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.056 1.342 . . . . 0.0 113.698 175.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.58 129.76 56.05 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 124.825 1.25 . . . . 0.0 112.477 -176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -59.72 -17.54 43.33 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.112 2.541 . . . . 0.0 117.212 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -125.08 -4.25 7.48 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.336 1.426 . . . . 0.0 113.814 -172.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -138.59 11.33 2.72 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.31 1.34 41.57 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 174.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -62.32 -50.62 70.91 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.894 -1.129 . . . . 0.0 113.278 -176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -99.33 -31.96 11.42 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m . . . . . 0 CA--C 1.544 0.742 0 CA-C-N 119.307 0.958 . . . . 0.0 113.196 -179.015 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 m -97.74 5.42 49.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.338 1.455 . . . . 0.0 113.771 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -104.99 127.32 28.97 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 125.205 1.402 . . . . 0.0 111.65 -175.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -56.41 -18.05 23.59 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.803 3.669 . . . . 0.0 118.272 -175.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -133.44 7.58 3.88 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.334 1.424 . . . . 0.0 114.502 -167.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 p -141.52 0.64 1.49 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.67 70.17 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.351 -1.468 . . . . 0.0 112.835 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -55.32 -28.71 55.48 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 171.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -61.48 1.82 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.897 0.879 . . . . 0.0 110.105 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 m . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -161.241 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.835 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.0 m -111.13 17.15 20.63 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.099 1.36 . . . . 0.0 113.015 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -90.09 126.32 57.49 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 125.242 1.417 . . . . 0.0 111.182 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -55.88 -19.49 25.64 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 124.253 3.302 . . . . 0.0 116.715 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -102.27 -28.94 11.97 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.157 1.344 . . . . 0.0 113.626 -168.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 p -143.44 1.11 1.18 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -154.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.55 65.08 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -57.24 -24.62 55.89 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.619 1.567 . . . . 0.0 114.24 172.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -29.36 20.98 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 113.386 -174.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 CA--C 1.54 0.574 0 CA-C-O 121.889 0.852 . . . . 0.0 111.659 -170.024 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.876 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 m -84.52 -8.17 59.02 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.944 1.297 . . . . 0.0 113.099 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -125.92 93.19 44.51 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 127.087 2.155 . . . . 0.0 111.663 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -56.29 -38.45 95.08 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.262 2.641 . . . . 0.0 115.335 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -70.11 -5.16 25.01 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -115.68 -30.72 6.06 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 127.124 2.17 . . . . 0.0 112.282 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.76 -30.36 22.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.302 1.041 . . . . 0.0 112.09 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -26.56 -44.38 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.676 3.19 . . . . 0.0 115.94 158.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.9 -7.11 20.69 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.818 1.647 . . . . 0.0 114.255 -175.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.4 m . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.112 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.835 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 m -79.49 -10.01 59.72 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -90.5 137.85 27.14 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 124.457 1.103 . . . . 0.0 112.745 -161.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -58.16 -21.89 53.72 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 123.063 2.508 . . . . 0.0 116.175 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -118.02 -63.54 1.41 Allowed 'General case' 0 C--N 1.348 0.539 0 CA-C-N 120.789 1.631 . . . . 0.0 109.04 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.268 8.5 p -69.42 -1.69 9.1 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -164.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.54 -24.68 1.39 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.414 1.086 . . . . 0.0 113.387 155.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.252 0.0 OUTLIER -66.47 3.88 0.87 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 170.188 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -130.31 -38.91 1.35 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 117.172 -1.394 . . . . 0.0 114.254 163.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 120.059 1.3 . . . . 0.0 113.774 -171.643 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.057 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -119.1 14.41 13.11 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.529 1.531 . . . . 0.0 114.202 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -89.0 137.66 29.55 Favored Pre-proline 0 CA--C 1.549 0.926 0 O-C-N 120.359 -1.463 . . . . 0.0 113.14 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -58.95 -21.17 56.76 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.65 2.9 . . . . 0.0 118.185 -178.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -112.48 -36.23 5.31 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.854 1.661 . . . . 0.0 112.653 -170.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.4 p -118.66 3.11 11.73 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -164.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.17 -26.9 69.02 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.652 1.181 . . . . 0.0 113.943 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 43.0 p-90 -49.48 -37.65 27.04 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 -168.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -31.77 10.84 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.813 1.245 . . . . 0.0 113.029 176.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 CA--C 1.544 0.73 0 CA-C-O 122.861 1.315 . . . . 0.0 114.365 -170.245 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -124.06 14.22 9.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.541 1.536 . . . . 0.0 113.356 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -80.71 134.65 53.5 Favored Pre-proline 0 CA--C 1.545 0.785 0 O-C-N 120.806 -1.183 . . . . 0.0 112.226 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -57.95 -30.75 90.85 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 122.836 2.357 . . . . 0.0 115.59 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -105.63 -33.24 8.12 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.535 -1.353 . . . . 0.0 111.318 -166.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.88 7.91 11.62 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -171.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.99 -11.36 56.69 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.107 -1.62 . . . . 0.0 113.532 161.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -39.92 -43.79 1.57 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 128.385 2.674 . . . . 0.0 116.227 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -111.37 -34.31 6.16 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.643 1.577 . . . . 0.0 112.641 164.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 CA--C 1.547 0.851 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -173.299 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -75.47 1.99 12.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.494 1.518 . . . . 0.0 114.824 174.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -128.02 134.78 26.61 Favored Pre-proline 0 CA--C 1.551 1.018 0 CA-C-N 120.328 1.422 . . . . 0.0 113.822 -172.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -59.29 -27.82 86.0 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.893 3.062 . . . . 0.0 117.262 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -103.92 -8.46 19.65 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 121.007 1.73 . . . . 0.0 113.091 -163.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 p -142.87 3.52 1.42 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.08 -31.13 3.16 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.856 -1.152 . . . . 0.0 112.266 161.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -23.75 -36.19 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 130.777 3.631 . . . . 0.0 118.467 162.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mmt-85 -133.87 -20.77 1.96 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.071 1.878 . . . . 0.0 116.071 173.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.478 0.938 0 CA-C-N 119.945 1.248 . . . . 0.0 112.753 -179.506 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -116.24 2.4 13.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.913 2.085 . . . . 0.0 113.726 172.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -123.87 90.59 50.52 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 126.268 1.827 . . . . 0.0 110.009 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -50.94 -41.88 54.28 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.257 3.304 . . . . 0.0 116.672 -164.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -78.91 4.19 14.88 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.639 -1.288 . . . . 0.0 114.455 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 t -115.05 -1.03 13.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.879 2.072 . . . . 0.0 112.064 169.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.92 -22.79 67.06 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.56 -1.338 . . . . 0.0 114.367 -170.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -53.45 -40.35 65.16 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.841 -1.162 . . . . 0.0 112.841 167.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -48.7 65.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.814 1.646 . . . . 0.0 110.352 -175.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.471 0.622 0 C-N-CA 125.123 1.369 . . . . 0.0 111.488 -176.58 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.877 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 m -89.72 14.34 12.02 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.366 1.466 . . . . 0.0 114.647 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -108.45 129.58 23.84 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.674 1.59 . . . . 0.0 111.422 171.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -69.65 -15.72 37.66 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.058 2.505 . . . . 0.0 116.874 -176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -120.14 -11.22 9.27 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.628 1.558 . . . . 0.0 112.432 -169.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -128.43 1.6 5.64 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 173.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.15 -25.64 33.52 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.922 1.692 . . . . 0.0 112.03 157.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -22.54 -62.29 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 131.183 3.793 . . . . 0.0 115.306 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.44 21.66 3.99 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.781 1.232 . . . . 0.0 113.292 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.47 0.529 0 O-C-N 121.494 -0.754 . . . . 0.0 111.392 163.282 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.97 40.1 3.69 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.331 1.452 . . . . 0.0 112.527 172.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -139.51 86.5 14.08 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.07 1.348 . . . . 0.0 112.247 171.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.37 -33.85 58.13 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.112 3.208 . . . . 0.0 115.837 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -71.61 1.23 6.94 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 t -131.9 -22.5 2.33 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.79 1.236 . . . . 0.0 113.233 164.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.49 40.07 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -60.95 -15.72 34.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.792 2.437 . . . . 0.0 116.392 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -121.8 -4.72 9.15 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 164.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m . . . . . 0 CA--C 1.55 0.959 0 C-N-CA 124.484 1.113 . . . . 0.0 113.835 175.158 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.827 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -118.32 24.21 11.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.916 1.686 . . . . 0.0 113.18 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -118.94 84.22 25.49 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.15 1.38 . . . . 0.0 109.844 161.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -54.78 -30.62 68.31 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 123.824 3.016 . . . . 0.0 115.7 -168.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -59.58 -14.25 12.6 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.374 1.469 . . . . 0.0 113.81 174.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 t -129.74 -1.39 4.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.511 2.724 . . . . 0.0 113.535 -174.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.89 -7.56 48.9 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -171.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -69.39 -18.96 63.82 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -168.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -123.99 -24.06 4.48 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.644 1.577 . . . . 0.0 113.875 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 CA--C 1.544 0.715 0 CA-C-N 119.872 1.215 . . . . 0.0 113.756 174.742 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.951 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.85 -21.17 3.91 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 115.832 1.79 . . . . 0.0 115.832 -173.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.5 t -109.97 6.57 23.23 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.443 1.897 . . . . 0.0 112.489 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -132.45 79.64 64.8 Favored Pre-proline 0 CA--C 1.555 1.14 0 C-N-CA 126.146 1.778 . . . . 0.0 111.969 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -44.52 -38.98 12.55 Favored 'Trans proline' 0 CA--C 1.54 0.797 1 C-N-CA 125.32 4.013 . . . . 0.0 116.306 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -63.19 -6.51 4.43 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.282 1.833 . . . . 0.0 115.496 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -128.36 -20.5 3.68 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.533 1.533 . . . . 0.0 112.705 169.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.75 -29.37 64.74 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -175.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -52.98 -24.95 10.53 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.985 1.314 . . . . 0.0 114.35 170.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -85.75 -29.52 23.81 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.85 1.26 . . . . 0.0 113.251 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.1 m -115.01 163.87 14.97 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 -163.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 O-C-N 120.055 -1.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.197 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.31 -31.74 65.98 Favored 'General case' 0 CA--C 1.552 1.023 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 -167.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.8 m -81.92 -5.45 58.29 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -124.01 78.84 58.53 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 126.809 2.044 . . . . 0.0 111.794 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -43.93 -35.68 7.42 Favored 'Trans proline' 0 C--N 1.354 0.828 0 C-N-CA 125.033 3.822 . . . . 0.0 116.009 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -55.34 -32.56 62.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.406 1.482 . . . . 0.0 114.167 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.5 t -107.07 -20.95 13.15 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.332 1.053 . . . . 0.0 112.846 174.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.96 -33.99 40.13 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.256 -0.903 . . . . 0.0 112.037 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -21.82 -45.35 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 130.35 3.46 . . . . 0.0 116.491 156.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -95.07 -27.31 15.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.342 2.257 . . . . 0.0 113.184 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.0 m -108.75 -7.46 15.56 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -163.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 120.7 -1.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.12 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.97 -29.26 59.96 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.47 1.032 . . . . 0.0 113.634 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.3 m -78.47 -13.0 60.04 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 172.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -114.53 82.15 7.53 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.127 2.171 . . . . 0.0 109.777 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -51.71 -41.28 62.7 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 123.962 3.108 . . . . 0.0 114.508 -171.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -58.13 -26.59 62.84 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.657 1.183 . . . . 0.0 113.28 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.6 t -100.29 -32.72 10.72 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 126.968 2.107 . . . . 0.0 112.59 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.16 -36.63 31.07 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.241 1.017 . . . . 0.0 111.872 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -32.28 -49.57 0.2 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.89 2.476 . . . . 0.0 116.469 163.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -106.87 11.47 29.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.249 1.42 . . . . 0.0 112.55 -174.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -76.04 140.64 42.03 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -170.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 O-C-N 120.86 -1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.01 -31.23 17.47 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.0 m -106.52 15.72 25.52 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.439 1.895 . . . . 0.0 114.187 177.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -119.04 87.24 33.75 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.622 1.569 . . . . 0.0 109.093 173.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.45 -28.0 26.37 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 124.401 3.401 . . . . 0.0 116.075 -172.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -78.29 -22.06 48.77 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.698 1.199 . . . . 0.0 114.088 176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 t -113.09 -13.29 13.07 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.807 1.243 . . . . 0.0 112.95 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.22 62.21 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -172.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -50.57 -32.95 20.06 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 172.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -75.68 -22.47 56.67 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.906 1.682 . . . . 0.0 111.881 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.5 m -125.82 -159.26 0.89 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.616 1.567 . . . . 0.0 110.742 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 119.495 -2.003 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.02 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.86 -37.13 59.9 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.733 1.213 . . . . 0.0 114.162 -176.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.2 m -84.18 6.24 23.32 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.747 1.219 . . . . 0.0 114.214 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -111.6 102.77 54.12 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 125.676 1.59 . . . . 0.0 110.207 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.99 -24.11 18.52 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 123.842 3.028 . . . . 0.0 115.812 -173.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -99.07 -11.08 21.78 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.663 1.585 . . . . 0.0 113.872 -177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.2 t -121.66 -9.09 8.95 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.61 1.164 . . . . 0.0 113.369 178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.95 -10.17 12.62 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -62.78 -36.03 81.78 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.921 1.288 . . . . 0.0 113.796 166.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -83.36 -38.47 21.97 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.747 1.219 . . . . 0.0 113.049 -167.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.1 m -122.8 145.46 48.4 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.448 1.099 . . . . 0.0 112.307 -169.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 120.89 -1.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.049 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.58 69.08 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -162.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.0 m -93.44 2.35 56.52 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -122.16 92.95 48.81 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.261 1.824 . . . . 0.0 110.051 174.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -54.53 -25.83 42.58 Favored 'Trans proline' 0 CA--C 1.537 0.643 0 C-N-CA 123.504 2.802 . . . . 0.0 114.602 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -66.61 -16.77 64.43 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 t -123.83 -11.61 7.66 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.214 1.37 . . . . 0.0 113.678 168.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.94 -35.24 64.01 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.532 -1.355 . . . . 0.0 114.135 -172.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -59.92 -26.4 65.9 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.962 2.105 . . . . 0.0 114.797 172.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.8 ttm-85 -72.94 -30.35 63.81 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 120.691 -1.256 . . . . 0.0 111.713 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m -116.77 44.11 2.11 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.971 1.708 . . . . 0.0 111.226 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 119.968 -1.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.784 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.27 -39.48 45.23 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.615 1.098 . . . . 0.0 113.955 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -98.23 19.56 14.01 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.519 1.928 . . . . 0.0 113.717 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -113.2 93.95 28.38 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 127.037 2.135 . . . . 0.0 108.378 169.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -57.94 -18.3 34.62 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.746 2.964 . . . . 0.0 116.813 -166.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.41 11.05 17.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.169 1.388 . . . . 0.0 114.04 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.5 t -122.56 -15.39 7.55 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.316 0.962 . . . . 0.0 112.93 168.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.54 -41.57 69.9 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -46.43 -36.36 6.47 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.787 1.635 . . . . 0.0 114.564 171.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -74.6 -24.86 58.95 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.265 1.426 . . . . 0.0 112.83 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.8 m -120.32 165.13 15.29 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 122.442 1.115 . . . . 0.0 113.802 -174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 120.652 -1.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.867 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.34 -30.53 60.44 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.674 1.589 . . . . 0.0 114.67 -176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.5 m -83.92 -0.06 49.85 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.483 1.513 . . . . 0.0 114.181 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -119.63 117.14 32.9 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 125.067 1.347 . . . . 0.0 111.781 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.16 -18.72 30.69 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.055 2.503 . . . . 0.0 116.982 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.8 mmm-85 -120.38 0.67 10.61 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 121.044 1.747 . . . . 0.0 113.409 -166.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -126.71 -8.82 6.16 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 170.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.8 42.34 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 119.922 1.237 . . . . 0.0 113.623 172.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -51.64 -34.88 39.85 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.596 1.158 . . . . 0.0 113.511 174.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -85.71 -20.56 29.15 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.036 1.734 . . . . 0.0 113.647 -170.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m -123.13 -25.65 4.48 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -166.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 O-C-N 120.678 -1.263 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.945 0 N-CA-C 111.968 -0.453 . . . . 0.0 111.968 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.55 -21.36 6.36 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.624 1.97 . . . . 0.0 115.925 -160.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.4 m -123.14 12.86 9.62 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.056 1.342 . . . . 0.0 113.698 175.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.58 129.76 56.05 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 124.825 1.25 . . . . 0.0 112.477 -176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -59.72 -17.54 43.33 Favored 'Trans proline' 0 CA--C 1.538 0.682 0 C-N-CA 123.112 2.541 . . . . 0.0 117.212 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -125.08 -4.25 7.48 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.336 1.426 . . . . 0.0 113.814 -172.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -138.59 11.33 2.72 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.31 1.34 41.57 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 174.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -62.32 -50.62 70.91 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.894 -1.129 . . . . 0.0 113.278 -176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -99.33 -31.96 11.42 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m -67.5 147.66 52.52 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.307 0.958 . . . . 0.0 113.196 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 120.862 -1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.042 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -41.93 -38.46 1.58 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.743 2.417 . . . . 0.0 114.796 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.7 m -97.74 5.42 49.25 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.338 1.455 . . . . 0.0 113.771 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -104.99 127.32 28.97 Favored Pre-proline 0 CA--C 1.553 1.09 0 C-N-CA 125.205 1.402 . . . . 0.0 111.65 -175.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -56.41 -18.05 23.59 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.803 3.669 . . . . 0.0 118.272 -175.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -133.44 7.58 3.88 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.334 1.424 . . . . 0.0 114.502 -167.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 p -141.52 0.64 1.49 Allowed 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.764 1.764 . . . . 0.0 115.764 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -30.67 70.17 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.351 -1.468 . . . . 0.0 112.835 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -55.32 -28.71 55.48 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 171.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -61.48 1.82 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.897 0.879 . . . . 0.0 110.105 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 m -96.59 -23.74 16.36 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -161.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 120.584 -1.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.027 0 N-CA-C 110.566 -1.013 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -50.4 -36.79 34.35 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 -168.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.0 m -111.13 17.15 20.63 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.099 1.36 . . . . 0.0 113.015 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -90.09 126.32 57.49 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 125.242 1.417 . . . . 0.0 111.182 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -55.88 -19.49 25.64 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 124.253 3.302 . . . . 0.0 116.715 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -102.27 -28.94 11.97 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.157 1.344 . . . . 0.0 113.626 -168.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 p -143.44 1.11 1.18 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -154.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.05 -33.55 65.08 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -57.24 -24.62 55.89 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.619 1.567 . . . . 0.0 114.24 172.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -29.36 20.98 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.856 1.263 . . . . 0.0 113.386 -174.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m -115.2 109.79 18.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.889 0.852 . . . . 0.0 111.659 -170.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 120.646 -1.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.176 0 N-CA-C 111.949 -0.46 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.08 -20.33 38.81 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.238 1.815 . . . . 0.0 115.069 -173.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 m -84.52 -8.17 59.02 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.944 1.297 . . . . 0.0 113.099 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -125.92 93.19 44.51 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 127.087 2.155 . . . . 0.0 111.663 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -56.29 -38.45 95.08 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.262 2.641 . . . . 0.0 115.335 -175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -70.11 -5.16 25.01 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 177.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -115.68 -30.72 6.06 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 127.124 2.17 . . . . 0.0 112.282 175.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.76 -30.36 22.45 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.302 1.041 . . . . 0.0 112.09 172.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -26.56 -44.38 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.676 3.19 . . . . 0.0 115.94 158.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.9 -7.11 20.69 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.818 1.647 . . . . 0.0 114.255 -175.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.33 -13.68 7.6 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -172.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.85 -35.84 15.56 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.932 1.242 . . . . 0.0 113.833 177.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.5 m -79.49 -10.01 59.72 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -90.5 137.85 27.14 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 124.457 1.103 . . . . 0.0 112.745 -161.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -58.16 -21.89 53.72 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 123.063 2.508 . . . . 0.0 116.175 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -118.02 -63.54 1.41 Allowed 'General case' 0 C--N 1.348 0.539 0 CA-C-N 120.789 1.631 . . . . 0.0 109.04 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.268 8.5 p -69.42 -1.69 9.1 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -164.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.54 -24.68 1.39 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.414 1.086 . . . . 0.0 113.387 155.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . 0.252 0.0 OUTLIER -66.47 3.88 0.87 Allowed 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.884 1.809 . . . . 0.0 115.884 170.188 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -130.31 -38.91 1.35 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 117.172 -1.394 . . . . 0.0 114.254 163.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 m -113.48 152.24 30.41 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.059 1.3 . . . . 0.0 113.774 -171.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.557 0 O-C-N 120.856 -1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.327 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.07 -23.9 5.98 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 -164.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.2 m -119.1 14.41 13.11 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.529 1.531 . . . . 0.0 114.202 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -89.0 137.66 29.55 Favored Pre-proline 0 CA--C 1.549 0.926 0 O-C-N 120.359 -1.463 . . . . 0.0 113.14 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -58.95 -21.17 56.76 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.65 2.9 . . . . 0.0 118.185 -178.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -112.48 -36.23 5.31 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.854 1.661 . . . . 0.0 112.653 -170.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.4 p -118.66 3.11 11.73 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -164.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.17 -26.9 69.02 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.652 1.181 . . . . 0.0 113.943 174.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 43.0 p-90 -49.48 -37.65 27.04 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.709 1.744 . . . . 0.0 115.709 -168.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -31.77 10.84 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.813 1.245 . . . . 0.0 113.029 176.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.3 m -73.8 144.79 45.42 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 122.861 1.315 . . . . 0.0 114.365 -170.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.635 0 O-C-N 120.283 -1.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.99 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.6 -27.32 2.73 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.534 1.934 . . . . 0.0 116.066 -162.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -124.06 14.22 9.12 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.541 1.536 . . . . 0.0 113.356 177.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -80.71 134.65 53.5 Favored Pre-proline 0 CA--C 1.545 0.785 0 O-C-N 120.806 -1.183 . . . . 0.0 112.226 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -57.95 -30.75 90.85 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 122.836 2.357 . . . . 0.0 115.59 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -105.63 -33.24 8.12 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.535 -1.353 . . . . 0.0 111.318 -166.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.88 7.91 11.62 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 -171.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.99 -11.36 56.69 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.107 -1.62 . . . . 0.0 113.532 161.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -39.92 -43.79 1.57 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 128.385 2.674 . . . . 0.0 116.227 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -111.37 -34.31 6.16 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 125.643 1.577 . . . . 0.0 112.641 164.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -62.15 142.56 57.55 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -173.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 O-C-N 119.673 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.842 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.51 -35.91 54.17 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.73 1.15 . . . . 0.0 111.975 166.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -75.47 1.99 12.67 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.494 1.518 . . . . 0.0 114.824 174.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -128.02 134.78 26.61 Favored Pre-proline 0 CA--C 1.551 1.018 0 CA-C-N 120.328 1.422 . . . . 0.0 113.822 -172.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -59.29 -27.82 86.0 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.893 3.062 . . . . 0.0 117.262 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -103.92 -8.46 19.65 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 121.007 1.73 . . . . 0.0 113.091 -163.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.6 p -142.87 3.52 1.42 Allowed 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 115.636 1.717 . . . . 0.0 115.636 -174.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -47.08 -31.13 3.16 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.856 -1.152 . . . . 0.0 112.266 161.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -23.75 -36.19 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 130.777 3.631 . . . . 0.0 118.467 162.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mmt-85 -133.87 -20.77 1.96 Allowed 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 116.071 1.878 . . . . 0.0 116.071 173.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 m -101.97 139.44 37.6 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.945 1.248 . . . . 0.0 112.753 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 121.118 -0.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.061 0 N-CA-C 110.566 -1.014 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.2 -9.63 8.31 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 165.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 m -116.24 2.4 13.28 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.913 2.085 . . . . 0.0 113.726 172.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -123.87 90.59 50.52 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 126.268 1.827 . . . . 0.0 110.009 177.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -50.94 -41.88 54.28 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.257 3.304 . . . . 0.0 116.672 -164.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -78.91 4.19 14.88 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.639 -1.288 . . . . 0.0 114.455 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 t -115.05 -1.03 13.16 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.879 2.072 . . . . 0.0 112.064 169.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.92 -22.79 67.06 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.56 -1.338 . . . . 0.0 114.367 -170.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -53.45 -40.35 65.16 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.841 -1.162 . . . . 0.0 112.841 167.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -48.7 65.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.814 1.646 . . . . 0.0 110.352 -175.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 m -130.89 121.09 24.6 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.123 1.369 . . . . 0.0 111.488 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 121.389 -0.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.953 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.93 -42.05 17.08 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -174.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 m -89.72 14.34 12.02 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.366 1.466 . . . . 0.0 114.647 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -108.45 129.58 23.84 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.674 1.59 . . . . 0.0 111.422 171.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -69.65 -15.72 37.66 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 123.058 2.505 . . . . 0.0 116.874 -176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -120.14 -11.22 9.27 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.628 1.558 . . . . 0.0 112.432 -169.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -128.43 1.6 5.64 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 173.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.15 -25.64 33.52 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 120.922 1.692 . . . . 0.0 112.03 157.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -22.54 -62.29 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 131.183 3.793 . . . . 0.0 115.306 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.44 21.66 3.99 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.781 1.232 . . . . 0.0 113.292 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -90.91 145.07 25.05 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.494 -0.754 . . . . 0.0 111.392 163.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 120.869 -1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.065 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -47.98 -26.44 1.76 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.605 1.962 . . . . 0.0 115.458 -170.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.97 40.1 3.69 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.331 1.452 . . . . 0.0 112.527 172.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -139.51 86.5 14.08 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 125.07 1.348 . . . . 0.0 112.247 171.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.37 -33.85 58.13 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.112 3.208 . . . . 0.0 115.837 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -71.61 1.23 6.94 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 t -131.9 -22.5 2.33 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.79 1.236 . . . . 0.0 113.233 164.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.69 -19.49 40.07 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 47.5 p-90 -60.95 -15.72 34.52 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.792 2.437 . . . . 0.0 116.392 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -121.8 -4.72 9.15 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 164.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -91.46 29.47 1.47 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.484 1.113 . . . . 0.0 113.835 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.976 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' 81S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.31 -31.73 6.41 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.422 1.889 . . . . 0.0 115.606 -167.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -118.32 24.21 11.09 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.916 1.686 . . . . 0.0 113.18 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -118.94 84.22 25.49 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.15 1.38 . . . . 0.0 109.844 161.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -54.78 -30.62 68.31 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 123.824 3.016 . . . . 0.0 115.7 -168.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -59.58 -14.25 12.6 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.374 1.469 . . . . 0.0 113.81 174.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 t -129.74 -1.39 4.82 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.511 2.724 . . . . 0.0 113.535 -174.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.89 -7.56 48.9 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -171.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -69.39 -18.96 63.82 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -168.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -123.99 -24.06 4.48 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.644 1.577 . . . . 0.0 113.875 168.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m -60.37 148.36 37.43 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.872 1.215 . . . . 0.0 113.756 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 120.646 -1.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_