data_2mto_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 2mto _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' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.792 0.329 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.2 p -64.74 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.688 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -88.37 146.4 37.73 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.84 -22.81 36.02 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.869 2.379 . . . . 0.0 112.258 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.249 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 121.019 0.438 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -162.78 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.443 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.93 -12.17 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.221 0.534 . . . . 0.0 110.262 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.234 0.26 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -88.18 -28.21 21.34 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 123.436 0.46 . . . . 0.0 111.268 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -74.3 146.17 83.86 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.961 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.33 -27.87 12.96 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.527 2.152 . . . . 0.0 112.562 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.878 -179.665 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 121.085 0.469 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -161.86 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.268 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 12' ' ' CYS . 96.0 mtm-85 -61.04 -37.32 82.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.18 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 11' ' ' ARG . 29.1 m . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.433 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.944 0.402 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.0 p -65.44 -22.17 66.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.684 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -99.48 144.61 28.6 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.047 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.73 -25.57 23.95 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.854 2.369 . . . . 0.0 112.535 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.465 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 121.047 0.451 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -86.25 -165.96 1.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.516 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -56.03 141.6 39.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 0.0 110.308 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.66 -179.722 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.2 m . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.727 0.299 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.4 p -67.32 -37.34 83.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.74 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -85.72 146.07 43.01 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.263 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.56 -23.5 31.63 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.87 2.38 . . . . 0.0 112.294 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.093 -179.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.023 0.44 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -168.87 0.36 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.535 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mtp-105 -63.21 -7.18 5.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.1 m . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.2 -179.758 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 t . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 121.066 0.46 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.9 p -64.16 -24.15 67.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.763 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -98.17 144.89 28.87 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.227 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -69.91 -26.0 27.32 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.811 2.341 . . . . 0.0 112.261 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.53 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -90.06 -161.03 0.75 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.381 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -48.48 151.21 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.17 0.509 . . . . 0.0 110.473 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.683 -179.634 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.856 0.36 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.3 p -86.3 -30.05 22.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.307 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -71.15 147.35 93.42 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.282 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -70.27 -37.65 7.67 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.066 2.51 . . . . 0.0 112.284 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 -179.773 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.804 0.335 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -107.83 156.93 18.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.432 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -51.34 139.16 19.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.754 -179.747 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.4 m . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.537 0.208 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.6 p -129.69 -9.15 4.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -69.27 144.26 94.69 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.097 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.01 -25.8 27.07 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.429 2.086 . . . . 0.0 112.634 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.59 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -125.08 158.77 33.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.599 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.44 143.12 54.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.67 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.686 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -88.23 -29.01 20.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.506 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -70.77 147.49 94.35 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.104 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.36 -36.33 9.4 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.563 2.175 . . . . 0.0 112.541 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 -179.821 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 121.085 0.469 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -113.49 156.23 23.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.33 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -51.52 142.72 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.443 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.013 -179.631 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.594 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.828 0.347 . . . . 0.0 110.5 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.594 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 73.9 m -65.49 -40.02 92.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.666 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.08 146.72 97.34 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.26 -26.61 35.59 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 123.236 2.624 . . . . 0.0 112.321 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.726 0.298 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -64.42 -41.62 96.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.16 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.83 -40.05 94.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.1 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.702 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.897 0.379 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.6 p -85.04 -27.59 26.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -78.89 123.91 85.04 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.264 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -54.66 -30.4 65.96 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.489 2.126 . . . . 0.0 112.148 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.74 -179.282 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.97 0.414 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.7 -170.12 1.22 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.463 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -60.51 -36.97 79.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.387 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.0 m . . . . . 0 N--CA 1.45 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m -70.49 -40.42 73.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.044 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -70.47 146.12 93.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.437 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -68.46 -32.94 24.16 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.425 2.083 . . . . 0.0 112.405 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.185 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 121.214 0.53 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -98.98 161.37 13.66 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.331 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtp-105 -48.92 139.16 10.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.272 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.1 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.852 0.358 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.7 p -100.47 -17.73 17.02 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -67.59 146.26 98.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 C-N-CA 120.349 -0.541 . . . . 0.0 109.959 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.37 -31.47 22.2 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.242 1.961 . . . . 0.0 112.311 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.787 179.808 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 121.146 0.498 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -125.96 -36.51 2.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.12 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -132.65 150.64 52.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.466 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.223 179.568 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 121.056 0.455 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -65.1 -24.36 67.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.912 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -101.96 145.01 29.73 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.282 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -71.59 -22.49 24.33 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.578 2.186 . . . . 0.0 112.297 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.049 -179.88 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.934 0.397 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -114.51 175.51 5.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.447 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -50.01 141.94 10.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.392 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.42 -179.688 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.4 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.714 0.292 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t -69.11 -43.43 74.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -73.23 129.23 86.36 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.665 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -53.74 -28.91 49.47 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 123.175 2.584 . . . . 0.0 112.04 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.824 -179.598 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.927 0.394 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -107.87 -43.52 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.735 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -94.16 -5.81 46.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 121.124 0.488 . . . . 0.0 110.362 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--O 1.237 0.411 0 CA-C-O 120.627 0.251 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -86.67 -30.3 21.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.35 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -73.92 147.02 85.91 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.222 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -71.44 -35.63 7.93 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.901 2.401 . . . . 0.0 112.099 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.557 -179.883 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.194 0.521 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -71.57 -100.9 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.502 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -105.35 -26.6 11.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.541 0.603 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.636 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.896 0.379 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -58.34 -36.82 74.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.163 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -116.33 149.34 43.45 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.801 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.72 -27.57 78.22 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.929 -179.205 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 . . . . . 0 N--CA 1.445 -0.684 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -65.3 -59.69 3.78 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -59.91 -36.43 76.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.005 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.198 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.1 t . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 121.044 0.449 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.0 p -92.85 -10.49 36.52 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.599 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' ARG . 9.2 m-20 -74.52 127.2 87.85 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.129 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.14 -37.45 69.31 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 123.352 2.701 . . . . 0.0 112.019 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.406 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 5' ' ' ASP . 56.7 ttt85 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.876 0.37 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -69.71 -50.37 44.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.747 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -92.51 144.81 24.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.78 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.495 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.544 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.544 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 73.5 m -62.94 -39.97 96.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -66.61 145.8 98.99 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.592 ' CB ' HH21 ' A' ' 9' ' ' ARG . 38.1 Cg_endo -68.81 -24.33 34.41 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 123.268 2.645 . . . . 0.0 112.339 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.89 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.592 HH21 ' CB ' ' A' ' 6' ' ' PRO . 19.8 ptp180 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.957 0.408 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -69.06 -39.37 79.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -61.42 -39.6 91.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.569 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.779 0.323 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.4 p -59.86 -22.22 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.476 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -133.06 150.38 75.4 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.723 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.19 -30.03 91.99 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 123.453 2.769 . . . . 0.0 112.065 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.406 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 120.723 0.296 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -67.52 -54.5 19.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.525 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.86 -37.37 87.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 -179.531 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.831 0.348 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.497 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 69.7 m -62.46 -40.14 95.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.686 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -69.46 130.36 90.81 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.338 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.99 -34.63 57.7 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.908 2.406 . . . . 0.0 112.33 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.061 -179.167 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.992 0.425 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.05 -39.14 92.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.269 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -62.34 -39.98 94.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.928 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.1 m -61.8 -40.73 96.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.697 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 1' ' ' GLY . 98.2 p -64.74 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.688 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -88.37 146.4 37.73 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.84 -22.81 36.02 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.869 2.379 . . . . 0.0 112.258 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -61.08 -20.73 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.475 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -93.2 65.58 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.595 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -162.78 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.443 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 13' ' ' ARG . 99.7 mtt180 -66.93 -12.17 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.2 m -62.56 71.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.221 0.534 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 11' ' ' ARG . 83.4 mtp180 . . . . . 0 C--N 1.322 -0.596 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.614 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.7 m -62.85 -38.78 92.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.059 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -88.18 -28.21 21.34 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 123.436 0.46 . . . . 0.0 111.268 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -74.3 146.17 83.86 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.961 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.33 -27.87 12.96 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.527 2.152 . . . . 0.0 112.562 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -64.98 -27.87 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.878 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.535 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -78.72 53.5 1.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.189 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -161.86 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.268 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 12' ' ' CYS . 96.0 mtm-85 -61.04 -37.32 82.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.18 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 11' ' ' ARG . 29.1 m -58.2 -117.01 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.433 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.683 -179.896 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 t -60.84 -48.42 81.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.812 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.0 p -65.44 -22.17 66.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.684 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -99.48 144.61 28.6 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.047 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.73 -25.57 23.95 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.854 2.369 . . . . 0.0 112.535 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -62.15 -17.54 58.21 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.465 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.55 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -95.87 37.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.355 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -86.25 -165.96 1.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.516 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 HH21 HH12 ' A' ' 13' ' ' ARG . 78.5 mtp85 -56.03 141.6 39.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 0.0 110.308 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -152.76 113.47 4.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.66 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.52 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 117.802 -1.094 . . . . 0.0 110.651 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.2 m -61.26 -40.86 95.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.544 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.4 p -67.32 -37.34 83.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.74 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -85.72 146.07 43.01 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.263 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.56 -23.5 31.63 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.87 2.38 . . . . 0.0 112.294 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -62.19 -19.8 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.093 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.5 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -94.44 68.23 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.319 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -168.87 0.36 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.535 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 mtp-105 -63.21 -7.18 5.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.1 m -59.73 -39.88 86.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.2 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.331 179.797 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' H2 ' ' HG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.35 -47.9 84.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.582 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.404 ' HG ' ' H2 ' ' A' ' 1' ' ' GLY . 94.9 p -64.16 -24.15 67.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.763 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -98.17 144.89 28.87 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.227 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -69.91 -26.0 27.32 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.811 2.341 . . . . 0.0 112.261 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -19.79 62.21 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.58 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -97.18 38.4 1.25 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -90.06 -161.03 0.75 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.381 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -48.48 151.21 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.17 0.509 . . . . 0.0 110.473 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.1 t -171.84 -73.54 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.683 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.429 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.2 m -64.65 -39.21 93.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.017 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.3 p -86.3 -30.05 22.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.307 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -71.15 147.35 93.42 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.282 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -70.27 -37.65 7.67 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.066 2.51 . . . . 0.0 112.284 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -59.61 -24.29 63.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.646 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -72.37 58.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.678 -1.147 . . . . 0.0 110.763 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -107.83 156.93 18.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.432 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -51.34 139.16 19.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -140.61 -34.87 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.754 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.641 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . 0.662 ' CG ' ' O ' ' A' ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.504 ' H ' ' C ' ' A' ' 1' ' ' GLY . 96.4 m -66.9 -39.28 87.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.358 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.6 p -129.69 -9.15 4.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -69.27 144.26 94.69 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.097 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.01 -25.8 27.07 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.429 2.086 . . . . 0.0 112.634 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -65.55 -17.74 64.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.59 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.421 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -86.16 52.76 2.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.387 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -125.08 158.77 33.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.599 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.44 143.12 54.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.67 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.4 t -61.47 -46.76 88.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.686 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.633 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . 0.438 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.27 -39.83 94.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.956 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -88.23 -29.01 20.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.506 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -70.77 147.49 94.35 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.104 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.36 -36.33 9.4 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.563 2.175 . . . . 0.0 112.541 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -60.38 -23.56 64.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.641 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -71.65 62.13 0.39 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.482 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -113.49 156.23 23.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.33 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -51.52 142.72 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.443 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -139.88 -34.96 0.53 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.013 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.909 -1.044 . . . . 0.0 109.877 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.594 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -50.54 -46.05 57.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.828 0.347 . . . . 0.0 110.5 178.189 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.594 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 73.9 m -65.49 -40.02 92.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.666 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.08 146.72 97.34 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.26 -26.61 35.59 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 123.236 2.624 . . . . 0.0 112.321 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -73.91 -16.9 61.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.697 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 13' ' ' ARG . 19.5 ptp180 -63.64 -1.99 1.51 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.71 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.553 ' H ' ' C ' ' A' ' 8' ' ' ABA . 67.4 m-85 -64.42 -41.62 96.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.16 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.83 -40.05 94.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.1 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.02 -60.46 1.9 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.702 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 9' ' ' ARG . 11.1 mpt_? . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.2 m -64.3 -40.48 96.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.99 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.6 p -85.04 -27.59 26.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -78.89 123.91 85.04 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.264 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -54.66 -30.4 65.96 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.489 2.126 . . . . 0.0 112.148 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -59.69 -26.73 65.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.74 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.474 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -86.01 65.87 9.31 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.348 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.7 -170.12 1.22 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.463 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -60.51 -36.97 79.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -38.39 -33.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.387 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' C ' HH11 ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.631 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.552 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.552 ' H ' ' C ' ' A' ' 1' ' ' GLY . 90.0 m -59.99 -43.34 95.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.218 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m -70.49 -40.42 73.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.044 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -70.47 146.12 93.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.437 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -68.46 -32.94 24.16 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.425 2.083 . . . . 0.0 112.405 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -60.4 -21.64 62.43 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.185 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.677 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -74.37 56.93 0.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.7 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -98.98 161.37 13.66 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.331 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mtp-105 -48.92 139.16 10.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.272 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -163.04 -44.78 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.847 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.463 -179.791 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . 0.572 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.546 ' H ' ' C ' ' A' ' 1' ' ' GLY . 99.1 m -66.67 -39.94 88.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.245 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.7 p -100.47 -17.73 17.02 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -67.59 146.26 98.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 C-N-CA 120.349 -0.541 . . . . 0.0 109.959 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.37 -31.47 22.2 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.242 1.961 . . . . 0.0 112.311 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -73.04 -12.89 61.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.787 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.615 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -70.99 45.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.146 0.498 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.591 ' H ' ' C ' ' A' ' 8' ' ' ABA . 31.2 m-85 -125.96 -36.51 2.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.12 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -132.65 150.64 52.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.466 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -154.98 -78.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.223 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.26 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 t -61.16 -48.8 79.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.012 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -65.1 -24.36 67.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.912 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -101.96 145.01 29.73 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.282 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -71.59 -22.49 24.33 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.578 2.186 . . . . 0.0 112.297 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -59.14 -17.95 31.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.049 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.476 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -98.09 61.28 1.49 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.566 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -114.51 175.51 5.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.447 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -50.01 141.94 10.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.392 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' H ' ' NH1' ' A' ' 13' ' ' ARG . 41.6 t -147.41 114.88 6.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.42 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' NH1' ' H ' ' A' ' 12' ' ' CYS . 78.6 mmt-85 . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.214 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.39 -43.89 96.19 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.445 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t -69.11 -43.43 74.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -73.23 129.23 86.36 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.665 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -53.74 -28.91 49.47 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 123.175 2.584 . . . . 0.0 112.04 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -61.42 -12.29 13.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.824 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.667 ' O ' ' HG1' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -68.72 53.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.847 -0.533 . . . . 0.0 110.803 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.434 ' H ' ' C ' ' A' ' 8' ' ' ABA . 65.6 m-85 -107.87 -43.52 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.735 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -94.16 -5.81 46.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.8 m -116.62 89.22 3.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.124 0.488 . . . . 0.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.393 -179.852 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -64.12 -39.17 93.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.523 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -86.67 -30.3 21.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.35 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -73.92 147.02 85.91 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.222 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -71.44 -35.63 7.93 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.901 2.401 . . . . 0.0 112.099 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -58.79 -23.25 59.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.557 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.667 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -88.33 55.6 3.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.125 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -71.57 -100.9 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.502 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -105.35 -26.6 11.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.2 -99.73 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.636 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.519 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . 0.633 ' C ' ' H ' ' A' ' 4' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' H ' ' C ' ' A' ' 1' ' ' GLY . 46.5 t -47.63 -11.28 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.896 0.379 . . . . 0.0 110.762 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.633 ' H ' ' C ' ' A' ' 2' ' ' ABA . 75.7 m -58.34 -36.82 74.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.163 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -116.33 149.34 43.45 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.801 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.72 -27.57 78.22 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -60.2 -20.53 59.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.929 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.54 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -66.4 -16.96 64.49 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.125 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -65.3 -59.69 3.78 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -59.91 -36.43 76.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.005 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.31 -39.43 75.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.198 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.729 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . 0.651 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.532 ' H ' ' C ' ' A' ' 1' ' ' GLY . 43.1 t -71.85 -48.26 47.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.699 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.0 p -92.85 -10.49 36.52 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.599 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' ARG . 9.2 m-20 -74.52 127.2 87.85 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.129 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.14 -37.45 69.31 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 123.352 2.701 . . . . 0.0 112.019 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -70.23 -14.42 62.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.406 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.651 ' CG ' ' O ' ' A' ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 5' ' ' ASP . 56.7 ttt85 -52.78 -19.08 2.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.876 0.37 . . . . 0.0 110.461 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' N ' ' C ' ' A' ' 8' ' ' ABA . 1.7 m-85 -69.71 -50.37 44.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.747 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -92.51 144.81 24.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.78 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -161.88 119.27 2.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.561 179.797 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.544 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -48.54 -51.03 29.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 179.185 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.544 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 73.5 m -62.94 -39.97 96.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -66.61 145.8 98.99 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.592 ' CB ' HH21 ' A' ' 9' ' ' ARG . 38.1 Cg_endo -68.81 -24.33 34.41 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 123.268 2.645 . . . . 0.0 112.339 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -76.31 -16.2 59.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.695 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.592 HH21 ' CB ' ' A' ' 6' ' ' PRO . 19.8 ptp180 -63.08 -13.81 40.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.632 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -69.06 -39.37 79.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -61.42 -39.6 91.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -41.41 88.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.569 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.302 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.547 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . 0.63 ' C ' ' H ' ' A' ' 4' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.547 ' H ' ' C ' ' A' ' 1' ' ' GLY . 43.0 t -47.99 -11.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.404 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.63 ' H ' ' C ' ' A' ' 2' ' ' ABA . 95.4 p -59.86 -22.22 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -133.06 150.38 75.4 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.723 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.19 -30.03 91.99 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 123.453 2.769 . . . . 0.0 112.065 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -59.0 -20.33 52.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.537 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -67.4 -15.3 63.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.355 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -67.52 -54.5 19.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.525 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.86 -37.37 87.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t -57.63 -45.54 85.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.574 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -47.28 -51.71 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.616 179.303 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.497 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 69.7 m -62.46 -40.14 95.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.686 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -69.46 130.36 90.81 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.338 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.99 -34.63 57.7 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.908 2.406 . . . . 0.0 112.33 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -63.65 -19.26 64.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.061 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ABA . . . . . 0.691 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -62.87 -19.56 64.26 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.319 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.05 -39.14 92.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.269 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -62.34 -39.98 94.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.928 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -40.86 93.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.574 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.792 0.329 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.2 p -64.74 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.688 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -88.37 146.4 37.73 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.84 -22.81 36.02 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.869 2.379 . . . . 0.0 112.258 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.249 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 121.019 0.438 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -162.78 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.443 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.93 -12.17 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.221 0.534 . . . . 0.0 110.262 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.234 0.26 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -88.18 -28.21 21.34 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 123.436 0.46 . . . . 0.0 111.268 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -74.3 146.17 83.86 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.961 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.33 -27.87 12.96 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.527 2.152 . . . . 0.0 112.562 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.878 -179.665 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 121.085 0.469 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -161.86 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.268 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 12' ' ' CYS . 96.0 mtm-85 -61.04 -37.32 82.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.18 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 11' ' ' ARG . 29.1 m . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.433 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.944 0.402 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.0 p -65.44 -22.17 66.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.684 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -99.48 144.61 28.6 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.047 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.73 -25.57 23.95 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.854 2.369 . . . . 0.0 112.535 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.465 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 121.047 0.451 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -86.25 -165.96 1.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.516 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -56.03 141.6 39.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 0.0 110.308 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.66 -179.722 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.2 m . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.727 0.299 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.4 p -67.32 -37.34 83.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.74 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -85.72 146.07 43.01 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.263 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.56 -23.5 31.63 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.87 2.38 . . . . 0.0 112.294 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.093 -179.9 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.023 0.44 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -168.87 0.36 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.535 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 11' ' ' ARG . 32.5 mtp-105 -63.21 -7.18 5.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.1 m . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.2 -179.758 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 t . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 121.066 0.46 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.9 p -64.16 -24.15 67.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.763 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -98.17 144.89 28.87 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.227 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -69.91 -26.0 27.32 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.811 2.341 . . . . 0.0 112.261 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.53 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -90.06 -161.03 0.75 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.381 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -48.48 151.21 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.17 0.509 . . . . 0.0 110.473 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.683 -179.634 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.856 0.36 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.3 p -86.3 -30.05 22.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.307 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -71.15 147.35 93.42 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.282 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -70.27 -37.65 7.67 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.066 2.51 . . . . 0.0 112.284 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 -179.773 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.804 0.335 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -107.83 156.93 18.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.432 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -51.34 139.16 19.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.754 -179.747 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.4 m . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.537 0.208 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.6 p -129.69 -9.15 4.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -69.27 144.26 94.69 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.097 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.01 -25.8 27.07 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.429 2.086 . . . . 0.0 112.634 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.59 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -125.08 158.77 33.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.599 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.44 143.12 54.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.67 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.686 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -88.23 -29.01 20.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.506 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -70.77 147.49 94.35 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.104 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.36 -36.33 9.4 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.563 2.175 . . . . 0.0 112.541 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 -179.821 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 121.085 0.469 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -113.49 156.23 23.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.33 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -51.52 142.72 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.443 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.013 -179.631 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.594 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.828 0.347 . . . . 0.0 110.5 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.594 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 73.9 m -65.49 -40.02 92.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.666 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.08 146.72 97.34 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.26 -26.61 35.59 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 123.236 2.624 . . . . 0.0 112.321 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.726 0.298 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -64.42 -41.62 96.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.16 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.83 -40.05 94.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.1 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.702 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.897 0.379 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.6 p -85.04 -27.59 26.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -78.89 123.91 85.04 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.264 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -54.66 -30.4 65.96 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.489 2.126 . . . . 0.0 112.148 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.74 -179.282 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.97 0.414 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.7 -170.12 1.22 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.463 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -60.51 -36.97 79.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.387 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.0 m . . . . . 0 N--CA 1.45 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m -70.49 -40.42 73.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.044 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -70.47 146.12 93.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.437 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -68.46 -32.94 24.16 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.425 2.083 . . . . 0.0 112.405 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.185 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 121.214 0.53 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -98.98 161.37 13.66 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.331 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 11' ' ' ARG . 30.4 mtp-105 -48.92 139.16 10.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.272 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.1 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.852 0.358 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.7 p -100.47 -17.73 17.02 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -67.59 146.26 98.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 C-N-CA 120.349 -0.541 . . . . 0.0 109.959 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.37 -31.47 22.2 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.242 1.961 . . . . 0.0 112.311 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.787 179.808 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 121.146 0.498 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -125.96 -36.51 2.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.12 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -132.65 150.64 52.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.466 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.223 179.568 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 121.056 0.455 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -65.1 -24.36 67.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.912 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -101.96 145.01 29.73 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.282 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -71.59 -22.49 24.33 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.578 2.186 . . . . 0.0 112.297 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.049 -179.88 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.934 0.397 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -114.51 175.51 5.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.447 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -50.01 141.94 10.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.392 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.42 -179.688 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.4 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.714 0.292 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t -69.11 -43.43 74.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -73.23 129.23 86.36 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.665 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -53.74 -28.91 49.47 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 123.175 2.584 . . . . 0.0 112.04 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.824 -179.598 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.927 0.394 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -107.87 -43.52 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.735 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -94.16 -5.81 46.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 121.124 0.488 . . . . 0.0 110.362 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--O 1.237 0.411 0 CA-C-O 120.627 0.251 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -86.67 -30.3 21.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.35 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -73.92 147.02 85.91 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.222 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -71.44 -35.63 7.93 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.901 2.401 . . . . 0.0 112.099 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.557 -179.883 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.194 0.521 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -71.57 -100.9 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.502 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -105.35 -26.6 11.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.541 0.603 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.636 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.896 0.379 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -58.34 -36.82 74.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.163 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -116.33 149.34 43.45 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.801 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.72 -27.57 78.22 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.929 -179.205 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 . . . . . 0 N--CA 1.445 -0.684 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -65.3 -59.69 3.78 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -59.91 -36.43 76.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.005 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.198 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.1 t . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 121.044 0.449 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.0 p -92.85 -10.49 36.52 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.599 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' ARG . 9.2 m-20 -74.52 127.2 87.85 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.129 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.14 -37.45 69.31 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 123.352 2.701 . . . . 0.0 112.019 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.406 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 5' ' ' ASP . 56.7 ttt85 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.876 0.37 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -69.71 -50.37 44.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.747 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -92.51 144.81 24.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.78 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.495 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.544 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.544 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 73.5 m -62.94 -39.97 96.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -66.61 145.8 98.99 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.612 ' CB ' HH21 ' A' ' 9' ' ' ARG . 38.1 Cg_endo -68.81 -24.33 34.41 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 123.268 2.645 . . . . 0.0 112.339 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.89 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.612 HH21 ' CB ' ' A' ' 6' ' ' PRO . 19.8 ptp180 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.957 0.408 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -69.06 -39.37 79.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -61.42 -39.6 91.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.569 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.779 0.323 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.4 p -59.86 -22.22 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.476 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -133.06 150.38 75.4 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.723 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.19 -30.03 91.99 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 123.453 2.769 . . . . 0.0 112.065 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.406 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 120.723 0.296 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -67.52 -54.5 19.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.525 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.86 -37.37 87.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 -179.531 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.831 0.348 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.497 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 69.7 m -62.46 -40.14 95.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.686 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -69.46 130.36 90.81 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.338 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.99 -34.63 57.7 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.908 2.406 . . . . 0.0 112.33 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.061 -179.167 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.992 0.425 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.05 -39.14 92.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.269 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -62.34 -39.98 94.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.928 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ABA . . . . . 0.43 ' HG2' ' N ' ' A' ' 3' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' N ' ' HG2' ' A' ' 2' ' ' ABA . 78.1 m -61.8 -40.73 96.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.697 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.2 p -64.74 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.688 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -88.37 146.4 37.73 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.536 ' C ' ' H ' ' A' ' 8' ' ' ABA . 38.0 Cg_endo -68.84 -22.81 36.02 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.869 2.379 . . . . 0.0 112.258 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -61.08 -20.73 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.536 ' H ' ' C ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -93.2 65.58 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.595 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -162.78 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.443 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 13' ' ' ARG . 99.7 mtt180 -66.93 -12.17 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.2 m -62.56 71.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.221 0.534 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 11' ' ' ARG . 83.4 mtp180 . . . . . 0 C--N 1.322 -0.596 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.614 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.7 m -62.85 -38.78 92.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.059 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -88.18 -28.21 21.34 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 123.436 0.46 . . . . 0.0 111.268 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -74.3 146.17 83.86 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.961 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.33 -27.87 12.96 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.527 2.152 . . . . 0.0 112.562 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -64.98 -27.87 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.878 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.535 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -78.72 53.5 1.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.189 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -161.86 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.268 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 12' ' ' CYS . 96.0 mtm-85 -61.04 -37.32 82.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.18 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 11' ' ' ARG . 29.1 m -58.2 -117.01 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.433 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.683 -179.896 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 t -60.84 -48.42 81.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.812 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.0 p -65.44 -22.17 66.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.684 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -99.48 144.61 28.6 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.047 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.563 ' C ' ' H ' ' A' ' 8' ' ' ABA . 43.6 Cg_endo -70.73 -25.57 23.95 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.854 2.369 . . . . 0.0 112.535 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -62.15 -17.54 58.21 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.465 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.563 ' H ' ' C ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -95.87 37.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.355 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -86.25 -165.96 1.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.516 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.487 HH21 HH12 ' A' ' 13' ' ' ARG . 78.5 mtp85 -56.03 141.6 39.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 0.0 110.308 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -152.76 113.47 4.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.66 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.52 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 117.802 -1.094 . . . . 0.0 110.651 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ABA . . . . . 0.431 ' HG2' ' N ' ' A' ' 3' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 2' ' ' ABA . 92.2 m -61.26 -40.86 95.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.544 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.4 p -67.32 -37.34 83.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.74 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -85.72 146.07 43.01 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.263 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 8' ' ' ABA . 40.5 Cg_endo -69.56 -23.5 31.63 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.87 2.38 . . . . 0.0 112.294 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -62.19 -19.8 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.093 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.514 ' H ' ' C ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -94.44 68.23 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.319 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -168.87 0.36 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.535 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 11' ' ' ARG . 32.5 mtp-105 -63.21 -7.18 5.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.1 m -59.73 -39.88 86.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.2 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.331 179.797 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ABA . . . . . 0.405 ' HG2' ' N ' ' A' ' 3' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 2' ' ' ABA . 17.5 t -60.35 -47.9 84.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.582 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.9 p -64.16 -24.15 67.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.763 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -98.17 144.89 28.87 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.227 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.539 ' C ' ' H ' ' A' ' 8' ' ' ABA . 41.5 Cg_endo -69.91 -26.0 27.32 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.811 2.341 . . . . 0.0 112.261 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -19.79 62.21 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.58 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -97.18 38.4 1.25 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -90.06 -161.03 0.75 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.381 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -48.48 151.21 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.17 0.509 . . . . 0.0 110.473 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.1 t -171.84 -73.54 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.683 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.429 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.2 m -64.65 -39.21 93.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.017 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.3 p -86.3 -30.05 22.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.307 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -71.15 147.35 93.42 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.282 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -70.27 -37.65 7.67 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.066 2.51 . . . . 0.0 112.284 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -59.61 -24.29 63.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.646 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -72.37 58.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.678 -1.147 . . . . 0.0 110.763 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -107.83 156.93 18.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.432 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -51.34 139.16 19.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -140.61 -34.87 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.754 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.641 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ABA . . . . . 0.662 ' CG ' ' O ' ' A' ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.468 ' H ' ' C ' ' A' ' 1' ' ' GLY . 96.4 m -66.9 -39.28 87.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.358 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.6 p -129.69 -9.15 4.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -69.27 144.26 94.69 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.097 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.484 ' C ' ' H ' ' A' ' 8' ' ' ABA . 46.0 Cg_endo -70.01 -25.8 27.07 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.429 2.086 . . . . 0.0 112.634 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -65.55 -17.74 64.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.59 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.484 ' H ' ' C ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -86.16 52.76 2.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.387 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -125.08 158.77 33.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.599 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.44 143.12 54.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.67 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.4 t -61.47 -46.76 88.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.686 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 5.5 ptm85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.633 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ABA . . . . . 0.438 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.27 -39.83 94.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.956 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -88.23 -29.01 20.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.506 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -70.77 147.49 94.35 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.104 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.36 -36.33 9.4 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.563 2.175 . . . . 0.0 112.541 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -60.38 -23.56 64.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.641 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -71.65 62.13 0.39 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.482 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -113.49 156.23 23.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.33 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -51.52 142.72 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.443 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -139.88 -34.96 0.53 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.013 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.909 -1.044 . . . . 0.0 109.877 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.594 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -50.54 -46.05 57.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.828 0.347 . . . . 0.0 110.5 178.189 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.594 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 73.9 m -65.49 -40.02 92.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.666 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.08 146.72 97.34 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.26 -26.61 35.59 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 123.236 2.624 . . . . 0.0 112.321 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -73.91 -16.9 61.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.697 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 13' ' ' ARG . 19.5 ptp180 -63.64 -1.99 1.51 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.71 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.499 ' H ' ' C ' ' A' ' 8' ' ' ABA . 67.4 m-85 -64.42 -41.62 96.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.16 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.83 -40.05 94.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.1 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.02 -60.46 1.9 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.702 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 9' ' ' ARG . 11.1 mpt_? . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.2 m -64.3 -40.48 96.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.99 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.6 p -85.04 -27.59 26.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -78.89 123.91 85.04 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.264 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -54.66 -30.4 65.96 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.489 2.126 . . . . 0.0 112.148 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -59.69 -26.73 65.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.74 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.474 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -86.01 65.87 9.31 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.348 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.7 -170.12 1.22 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.463 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -60.51 -36.97 79.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -38.39 -33.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.387 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' C ' HH11 ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.631 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.534 ' H ' ' C ' ' A' ' 1' ' ' GLY . 90.0 m -59.99 -43.34 95.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.218 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m -70.49 -40.42 73.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.044 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -70.47 146.12 93.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.437 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 8' ' ' ABA . 37.3 Cg_endo -68.46 -32.94 24.16 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.425 2.083 . . . . 0.0 112.405 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -60.4 -21.64 62.43 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.185 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.677 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -74.37 56.93 0.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.7 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -98.98 161.37 13.66 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.331 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 11' ' ' ARG . 30.4 mtp-105 -48.92 139.16 10.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.272 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -163.04 -44.78 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.847 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.463 -179.791 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.519 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ABA . . . . . 0.572 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' H ' ' C ' ' A' ' 1' ' ' GLY . 99.1 m -66.67 -39.94 88.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.245 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.7 p -100.47 -17.73 17.02 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -67.59 146.26 98.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 C-N-CA 120.349 -0.541 . . . . 0.0 109.959 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.37 -31.47 22.2 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.242 1.961 . . . . 0.0 112.311 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -73.04 -12.89 61.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.787 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.615 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -70.99 45.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.146 0.498 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' H ' ' C ' ' A' ' 8' ' ' ABA . 31.2 m-85 -125.96 -36.51 2.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.12 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -132.65 150.64 52.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.466 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -154.98 -78.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.223 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.26 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ABA . . . . . 0.408 ' HG2' ' N ' ' A' ' 3' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' N ' ' HG2' ' A' ' 2' ' ' ABA . 2.7 t -61.16 -48.8 79.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.012 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -65.1 -24.36 67.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.912 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -101.96 145.01 29.73 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.282 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -71.59 -22.49 24.33 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.578 2.186 . . . . 0.0 112.297 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -59.14 -17.95 31.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.049 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.487 ' HG3' ' HD2' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -98.09 61.28 1.49 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.566 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' HD2' ' HG3' ' A' ' 8' ' ' ABA . 91.5 m-85 -114.51 175.51 5.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.447 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -50.01 141.94 10.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.392 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' H ' ' NH1' ' A' ' 13' ' ' ARG . 41.6 t -147.41 114.88 6.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.42 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' NH1' ' H ' ' A' ' 12' ' ' CYS . 78.6 mmt-85 . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.214 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.39 -43.89 96.19 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.445 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t -69.11 -43.43 74.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -73.23 129.23 86.36 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.665 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.557 ' C ' ' H ' ' A' ' 8' ' ' ABA . 47.1 Cg_exo -53.74 -28.91 49.47 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 123.175 2.584 . . . . 0.0 112.04 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -61.42 -12.29 13.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.824 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.557 ' H ' ' C ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -68.72 53.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.847 -0.533 . . . . 0.0 110.803 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' ABA . 65.6 m-85 -107.87 -43.52 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.735 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -94.16 -5.81 46.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.8 m -116.62 89.22 3.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.124 0.488 . . . . 0.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.393 -179.852 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -64.12 -39.17 93.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.523 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -86.67 -30.3 21.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.35 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -73.92 147.02 85.91 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.222 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -71.44 -35.63 7.93 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.901 2.401 . . . . 0.0 112.099 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -58.79 -23.25 59.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.557 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.667 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -88.33 55.6 3.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.125 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -71.57 -100.9 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.502 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -105.35 -26.6 11.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.2 -99.73 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.636 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ABA . . . . . 0.588 ' C ' ' H ' ' A' ' 4' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' H ' ' C ' ' A' ' 1' ' ' GLY . 46.5 t -47.63 -11.28 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.896 0.379 . . . . 0.0 110.762 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.588 ' H ' ' C ' ' A' ' 2' ' ' ABA . 75.7 m -58.34 -36.82 74.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.163 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -116.33 149.34 43.45 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.801 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.72 -27.57 78.22 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -60.2 -20.53 59.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.929 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.803 ' O ' ' HG2' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -66.4 -16.96 64.49 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.125 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -65.3 -59.69 3.78 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -59.91 -36.43 76.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.005 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.31 -39.43 75.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.198 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.729 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ABA . . . . . 0.651 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' H ' ' C ' ' A' ' 1' ' ' GLY . 43.1 t -71.85 -48.26 47.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.699 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.0 p -92.85 -10.49 36.52 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.599 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' ARG . 9.2 m-20 -74.52 127.2 87.85 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.129 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.14 -37.45 69.31 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 123.352 2.701 . . . . 0.0 112.019 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -70.23 -14.42 62.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.406 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.651 ' CG ' ' O ' ' A' ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 5' ' ' ASP . 56.7 ttt85 -52.78 -19.08 2.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.876 0.37 . . . . 0.0 110.461 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' N ' ' C ' ' A' ' 8' ' ' ABA . 1.7 m-85 -69.71 -50.37 44.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.747 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -92.51 144.81 24.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.78 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -161.88 119.27 2.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.561 179.797 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.544 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -48.54 -51.03 29.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 179.185 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.544 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 73.5 m -62.94 -39.97 96.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -66.61 145.8 98.99 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.612 ' CB ' HH21 ' A' ' 9' ' ' ARG . 38.1 Cg_endo -68.81 -24.33 34.41 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 123.268 2.645 . . . . 0.0 112.339 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -76.31 -16.2 59.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.695 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.612 HH21 ' CB ' ' A' ' 6' ' ' PRO . 19.8 ptp180 -63.08 -13.81 40.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.632 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -69.06 -39.37 79.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -61.42 -39.6 91.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -41.41 88.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.569 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.302 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ABA . . . . . 0.592 ' C ' ' N ' ' A' ' 4' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.504 ' H ' ' C ' ' A' ' 1' ' ' GLY . 43.0 t -47.99 -11.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.404 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.592 ' N ' ' C ' ' A' ' 2' ' ' ABA . 95.4 p -59.86 -22.22 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -133.06 150.38 75.4 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.723 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.19 -30.03 91.99 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 123.453 2.769 . . . . 0.0 112.065 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -59.0 -20.33 52.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.8 ' O ' ' HG2' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -67.4 -15.3 63.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.355 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -67.52 -54.5 19.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.525 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.86 -37.37 87.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t -57.63 -45.54 85.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.574 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -47.28 -51.71 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.616 179.303 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.497 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 69.7 m -62.46 -40.14 95.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.686 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -69.46 130.36 90.81 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.338 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.455 ' C ' ' H ' ' A' ' 8' ' ' ABA . 51.3 Cg_exo -51.99 -34.63 57.7 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.908 2.406 . . . . 0.0 112.33 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -63.65 -19.26 64.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.061 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ABA . . . . . 0.691 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -62.87 -19.56 64.26 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.319 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.05 -39.14 92.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.269 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' HG3' ' HG3' ' A' ' 8' ' ' ABA . 27.3 mmt180 -62.34 -39.98 94.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.928 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -40.86 93.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.574 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.1 m . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.792 0.329 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.2 p -64.74 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.688 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -88.37 146.4 37.73 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.84 -22.81 36.02 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.869 2.379 . . . . 0.0 112.258 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.249 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 121.019 0.438 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -162.78 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.443 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.93 -12.17 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.221 0.534 . . . . 0.0 110.262 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.234 0.26 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -88.18 -28.21 21.34 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 123.436 0.46 . . . . 0.0 111.268 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -74.3 146.17 83.86 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.961 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.33 -27.87 12.96 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.527 2.152 . . . . 0.0 112.562 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.878 -179.665 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 121.085 0.469 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -161.86 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.268 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 12' ' ' CYS . 96.0 mtm-85 -61.04 -37.32 82.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.18 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 11' ' ' ARG . 29.1 m . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.433 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.944 0.402 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.0 p -65.44 -22.17 66.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.684 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -99.48 144.61 28.6 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.047 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.73 -25.57 23.95 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.854 2.369 . . . . 0.0 112.535 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.465 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 121.047 0.451 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -86.25 -165.96 1.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.516 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -56.03 141.6 39.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 0.0 110.308 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.66 -179.722 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.2 m . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.727 0.299 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.4 p -67.32 -37.34 83.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.74 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -85.72 146.07 43.01 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.263 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.56 -23.5 31.63 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.87 2.38 . . . . 0.0 112.294 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.093 -179.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.023 0.44 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -168.87 0.36 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.535 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 11' ' ' ARG . 32.5 mtp-105 -63.21 -7.18 5.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.1 m . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.2 -179.758 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 t . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 121.066 0.46 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.9 p -64.16 -24.15 67.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.763 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -98.17 144.89 28.87 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.227 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -69.91 -26.0 27.32 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.811 2.341 . . . . 0.0 112.261 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -0.53 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.995 0.426 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -90.06 -161.03 0.75 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.381 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -48.48 151.21 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.17 0.509 . . . . 0.0 110.473 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.683 -179.634 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.2 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.856 0.36 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.3 p -86.3 -30.05 22.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.307 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -71.15 147.35 93.42 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.282 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -70.27 -37.65 7.67 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.066 2.51 . . . . 0.0 112.284 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 -179.773 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.804 0.335 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -107.83 156.93 18.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.432 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -51.34 139.16 19.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.754 -179.747 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.4 m . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.537 0.208 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.6 p -129.69 -9.15 4.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -69.27 144.26 94.69 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.097 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -70.01 -25.8 27.07 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.429 2.086 . . . . 0.0 112.634 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.59 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.034 0.445 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -125.08 158.77 33.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.599 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.44 143.12 54.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.67 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.686 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -88.23 -29.01 20.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.506 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -70.77 147.49 94.35 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.104 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.36 -36.33 9.4 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.563 2.175 . . . . 0.0 112.541 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 . . . . . 0 C--N 1.332 -0.19 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 -179.821 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 121.085 0.469 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -113.49 156.23 23.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.33 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -51.52 142.72 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.443 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.013 -179.631 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.594 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.828 0.347 . . . . 0.0 110.5 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.594 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 73.9 m -65.49 -40.02 92.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.666 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.08 146.72 97.34 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.26 -26.61 35.59 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 123.236 2.624 . . . . 0.0 112.321 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.726 0.298 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -64.42 -41.62 96.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.16 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.83 -40.05 94.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.1 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.702 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.897 0.379 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.6 p -85.04 -27.59 26.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -78.89 123.91 85.04 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.264 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -54.66 -30.4 65.96 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.489 2.126 . . . . 0.0 112.148 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.74 -179.282 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.97 0.414 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.7 -170.12 1.22 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.463 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -60.51 -36.97 79.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.387 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.0 m . . . . . 0 N--CA 1.45 -0.461 0 CA-C-O 120.879 0.371 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m -70.49 -40.42 73.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.044 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -70.47 146.12 93.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.437 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -68.46 -32.94 24.16 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.425 2.083 . . . . 0.0 112.405 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.185 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 121.214 0.53 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -98.98 161.37 13.66 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.331 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 11' ' ' ARG . 30.4 mtp-105 -48.92 139.16 10.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.272 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.1 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.852 0.358 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.7 p -100.47 -17.73 17.02 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -67.59 146.26 98.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 C-N-CA 120.349 -0.541 . . . . 0.0 109.959 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.37 -31.47 22.2 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.242 1.961 . . . . 0.0 112.311 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.787 179.808 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 121.146 0.498 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -125.96 -36.51 2.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.12 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -132.65 150.64 52.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.466 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.223 179.568 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 121.056 0.455 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -65.1 -24.36 67.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.912 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -101.96 145.01 29.73 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.282 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -71.59 -22.49 24.33 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.578 2.186 . . . . 0.0 112.297 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.049 -179.88 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.934 0.397 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -114.51 175.51 5.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.447 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -50.01 141.94 10.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.392 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.6 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.42 -179.688 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.4 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.714 0.292 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t -69.11 -43.43 74.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -73.23 129.23 86.36 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.665 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -53.74 -28.91 49.47 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 123.175 2.584 . . . . 0.0 112.04 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.824 -179.598 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.927 0.394 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -107.87 -43.52 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.735 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -94.16 -5.81 46.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 121.124 0.488 . . . . 0.0 110.362 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--O 1.237 0.411 0 CA-C-O 120.627 0.251 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -86.67 -30.3 21.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.35 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -73.92 147.02 85.91 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.222 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -71.44 -35.63 7.93 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.901 2.401 . . . . 0.0 112.099 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.557 -179.883 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.194 0.521 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -71.57 -100.9 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.502 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -105.35 -26.6 11.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.541 0.603 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.636 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.896 0.379 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.7 m -58.34 -36.82 74.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.163 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -116.33 149.34 43.45 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.801 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.72 -27.57 78.22 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.929 -179.205 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 . . . . . 0 N--CA 1.445 -0.684 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -65.3 -59.69 3.78 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -59.91 -36.43 76.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.005 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.4 t . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.198 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.1 t . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 121.044 0.449 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.0 p -92.85 -10.49 36.52 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.599 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' ARG . 9.2 m-20 -74.52 127.2 87.85 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.129 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.14 -37.45 69.31 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 123.352 2.701 . . . . 0.0 112.019 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.406 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 5' ' ' ASP . 56.7 ttt85 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.876 0.37 . . . . 0.0 110.461 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -69.71 -50.37 44.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.747 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -92.51 144.81 24.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.78 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.495 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.544 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.544 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 73.5 m -62.94 -39.97 96.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -66.61 145.8 98.99 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.612 ' CB ' HH21 ' A' ' 9' ' ' ARG . 38.1 Cg_endo -68.81 -24.33 34.41 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 123.268 2.645 . . . . 0.0 112.339 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.89 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.612 HH21 ' CB ' ' A' ' 6' ' ' PRO . 19.8 ptp180 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.957 0.408 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -69.06 -39.37 79.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -61.42 -39.6 91.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.569 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.779 0.323 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.4 p -59.86 -22.22 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.476 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -133.06 150.38 75.4 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.723 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.19 -30.03 91.99 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 123.453 2.769 . . . . 0.0 112.065 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.406 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 120.723 0.296 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -67.52 -54.5 19.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.525 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.86 -37.37 87.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 -179.531 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.831 0.348 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.497 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 69.7 m -62.46 -40.14 95.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.686 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -69.46 130.36 90.81 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.338 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.99 -34.63 57.7 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.908 2.406 . . . . 0.0 112.33 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.061 -179.167 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.992 0.425 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.05 -39.14 92.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.269 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -62.34 -39.98 94.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.928 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . 0.43 ' HG2' ' N ' ' A' ' 3' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' N ' ' HG2' ' A' ' 2' ' ' ABA . 78.1 m -61.8 -40.73 96.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.697 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 98.2 p -64.74 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.688 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -88.37 146.4 37.73 Favored Pre-proline 0 CA--C 1.541 0.618 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.536 ' C ' ' H ' ' A' ' 8' ' ' ABA . 38.0 Cg_endo -68.84 -22.81 36.02 Favored 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.869 2.379 . . . . 0.0 112.258 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -61.08 -20.73 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.536 ' H ' ' C ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -93.2 65.58 3.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.595 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.87 -162.78 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.443 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.531 ' O ' ' N ' ' A' ' 13' ' ' ARG . 99.7 mtt180 -66.93 -12.17 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.234 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.2 m -62.56 71.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.221 0.534 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 11' ' ' ARG . 83.4 mtp180 . . . . . 0 C--N 1.322 -0.596 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.614 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.7 m -62.85 -38.78 92.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.059 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -88.18 -28.21 21.34 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 123.436 0.46 . . . . 0.0 111.268 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -74.3 146.17 83.86 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.961 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.33 -27.87 12.96 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.527 2.152 . . . . 0.0 112.562 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -64.98 -27.87 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.878 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.535 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -78.72 53.5 1.36 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.189 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -161.86 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.268 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 12' ' ' CYS . 96.0 mtm-85 -61.04 -37.32 82.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.18 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 11' ' ' ARG . 29.1 m -58.2 -117.01 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.433 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.683 -179.896 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 t -60.84 -48.42 81.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.812 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.0 p -65.44 -22.17 66.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.684 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -99.48 144.61 28.6 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.047 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.563 ' C ' ' H ' ' A' ' 8' ' ' ABA . 43.6 Cg_endo -70.73 -25.57 23.95 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.854 2.369 . . . . 0.0 112.535 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -62.15 -17.54 58.21 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.465 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.563 ' H ' ' C ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -95.87 37.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.355 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -86.25 -165.96 1.41 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.516 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.487 HH21 HH12 ' A' ' 13' ' ' ARG . 78.5 mtp85 -56.03 141.6 39.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.175 0.512 . . . . 0.0 110.308 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -152.76 113.47 4.11 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.66 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.52 ' CD ' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 117.802 -1.094 . . . . 0.0 110.651 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . 0.431 ' HG2' ' N ' ' A' ' 3' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 2' ' ' ABA . 92.2 m -61.26 -40.86 95.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.544 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.4 p -67.32 -37.34 83.16 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.74 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -85.72 146.07 43.01 Favored Pre-proline 0 CA--C 1.546 0.818 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.263 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 8' ' ' ABA . 40.5 Cg_endo -69.56 -23.5 31.63 Favored 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 122.87 2.38 . . . . 0.0 112.294 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -62.19 -19.8 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.093 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.514 ' H ' ' C ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -94.44 68.23 3.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.319 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.42 -168.87 0.36 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.535 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 11' ' ' ARG . 32.5 mtp-105 -63.21 -7.18 5.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.566 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.1 m -59.73 -39.88 86.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.2 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 . . . . . 0 C--N 1.323 -0.567 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.331 179.797 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . 0.405 ' HG2' ' N ' ' A' ' 3' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 2' ' ' ABA . 17.5 t -60.35 -47.9 84.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.582 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.9 p -64.16 -24.15 67.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.763 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -98.17 144.89 28.87 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.227 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.539 ' C ' ' H ' ' A' ' 8' ' ' ABA . 41.5 Cg_endo -69.91 -26.0 27.32 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.811 2.341 . . . . 0.0 112.261 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.33 -19.79 62.21 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.441 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.58 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -97.18 38.4 1.25 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.358 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -90.06 -161.03 0.75 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.381 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -48.48 151.21 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.17 0.509 . . . . 0.0 110.473 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.1 t -171.84 -73.54 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.683 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.429 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.2 m -64.65 -39.21 93.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.017 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.3 p -86.3 -30.05 22.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.307 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -71.15 147.35 93.42 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.282 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -70.27 -37.65 7.67 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 123.066 2.51 . . . . 0.0 112.284 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -59.61 -24.29 63.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.564 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.646 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -72.37 58.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.678 -1.147 . . . . 0.0 110.763 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -107.83 156.93 18.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.432 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -51.34 139.16 19.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.668 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -140.61 -34.87 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.754 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.641 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . 0.662 ' CG ' ' O ' ' A' ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.468 ' H ' ' C ' ' A' ' 1' ' ' GLY . 96.4 m -66.9 -39.28 87.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.358 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.6 p -129.69 -9.15 4.52 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -69.27 144.26 94.69 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 120.445 -0.502 . . . . 0.0 111.097 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.484 ' C ' ' H ' ' A' ' 8' ' ' ABA . 46.0 Cg_endo -70.01 -25.8 27.07 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.429 2.086 . . . . 0.0 112.634 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -65.55 -17.74 64.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.59 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.484 ' H ' ' C ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -86.16 52.76 2.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.387 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -125.08 158.77 33.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.599 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.44 143.12 54.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.67 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.4 t -61.47 -46.76 88.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.686 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HG2' ' H ' ' A' ' 13' ' ' ARG . 5.5 ptm85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.633 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . 0.438 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.4 m -64.27 -39.83 94.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.956 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -88.23 -29.01 20.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.506 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -70.77 147.49 94.35 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.104 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.36 -36.33 9.4 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.563 2.175 . . . . 0.0 112.541 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -60.38 -23.56 64.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.57 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.641 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -71.65 62.13 0.39 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.482 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -113.49 156.23 23.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.33 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -51.52 142.72 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.443 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.9 t -139.88 -34.96 0.53 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.013 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.909 -1.044 . . . . 0.0 109.877 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.594 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -50.54 -46.05 57.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.828 0.347 . . . . 0.0 110.5 178.189 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.594 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 73.9 m -65.49 -40.02 92.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.666 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -69.08 146.72 97.34 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.26 -26.61 35.59 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 123.236 2.624 . . . . 0.0 112.321 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -73.91 -16.9 61.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.71 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.697 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 13' ' ' ARG . 19.5 ptp180 -63.64 -1.99 1.51 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.71 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.499 ' H ' ' C ' ' A' ' 8' ' ' ABA . 67.4 m-85 -64.42 -41.62 96.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.16 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -64.83 -40.05 94.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.1 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.02 -60.46 1.9 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.702 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 9' ' ' ARG . 11.1 mpt_? . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.2 m -64.3 -40.48 96.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.99 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.6 p -85.04 -27.59 26.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -78.89 123.91 85.04 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.264 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -54.66 -30.4 65.96 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.489 2.126 . . . . 0.0 112.148 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -59.69 -26.73 65.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.74 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.474 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -86.01 65.87 9.31 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.348 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.7 -170.12 1.22 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.463 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -60.51 -36.97 79.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -38.39 -33.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.387 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' C ' HH11 ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.631 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.534 ' H ' ' C ' ' A' ' 1' ' ' GLY . 90.0 m -59.99 -43.34 95.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.218 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.2 m -70.49 -40.42 73.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.044 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -70.47 146.12 93.68 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.437 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 8' ' ' ABA . 37.3 Cg_endo -68.46 -32.94 24.16 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.425 2.083 . . . . 0.0 112.405 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -60.4 -21.64 62.43 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.185 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.677 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -74.37 56.93 0.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.7 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -98.98 161.37 13.66 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.331 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 11' ' ' ARG . 30.4 mtp-105 -48.92 139.16 10.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.272 -179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -163.04 -44.78 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.847 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.463 -179.791 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.519 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . 0.572 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' H ' ' C ' ' A' ' 1' ' ' GLY . 99.1 m -66.67 -39.94 88.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.245 179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.7 p -100.47 -17.73 17.02 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -67.59 146.26 98.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 C-N-CA 120.349 -0.541 . . . . 0.0 109.959 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.37 -31.47 22.2 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.242 1.961 . . . . 0.0 112.311 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.0 ptp180 -73.04 -12.89 61.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.787 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.615 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -70.99 45.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.146 0.498 . . . . 0.0 110.358 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' H ' ' C ' ' A' ' 8' ' ' ABA . 31.2 m-85 -125.96 -36.51 2.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.12 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -132.65 150.64 52.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.466 -179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -154.98 -78.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.223 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.26 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.656 -1.378 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . 0.408 ' HG2' ' N ' ' A' ' 3' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' N ' ' HG2' ' A' ' 2' ' ' ABA . 2.7 t -61.16 -48.8 79.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.012 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 99.0 p -65.1 -24.36 67.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.912 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -101.96 145.01 29.73 Favored Pre-proline 0 CA--C 1.54 0.564 0 C-N-CA 120.776 -0.369 . . . . 0.0 111.282 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -71.59 -22.49 24.33 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.578 2.186 . . . . 0.0 112.297 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -59.14 -17.95 31.49 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.049 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.487 ' HG3' ' HD2' ' A' ' 10' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -98.09 61.28 1.49 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.566 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' HD2' ' HG3' ' A' ' 8' ' ' ABA . 91.5 m-85 -114.51 175.51 5.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.447 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -50.01 141.94 10.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.392 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' H ' ' NH1' ' A' ' 13' ' ' ARG . 41.6 t -147.41 114.88 6.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.42 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' NH1' ' H ' ' A' ' 12' ' ' CYS . 78.6 mmt-85 . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.214 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.39 -43.89 96.19 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.445 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t -69.11 -43.43 74.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -73.23 129.23 86.36 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.665 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.557 ' C ' ' H ' ' A' ' 8' ' ' ABA . 47.1 Cg_exo -53.74 -28.91 49.47 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 123.175 2.584 . . . . 0.0 112.04 179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -61.42 -12.29 13.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.824 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.557 ' H ' ' C ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -68.72 53.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.847 -0.533 . . . . 0.0 110.803 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 8' ' ' ABA . 65.6 m-85 -107.87 -43.52 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.735 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -94.16 -5.81 46.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.8 m -116.62 89.22 3.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.124 0.488 . . . . 0.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.393 -179.852 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.359 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.9 m -64.12 -39.17 93.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.523 179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.9 p -86.67 -30.3 21.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.35 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -73.92 147.02 85.91 Favored Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.222 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -71.44 -35.63 7.93 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.901 2.401 . . . . 0.0 112.099 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -58.79 -23.25 59.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.557 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.667 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -88.33 55.6 3.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.125 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -71.57 -100.9 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.502 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -105.35 -26.6 11.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -52.2 -99.73 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.636 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.633 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . 0.588 ' C ' ' H ' ' A' ' 4' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' H ' ' C ' ' A' ' 1' ' ' GLY . 46.5 t -47.63 -11.28 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.896 0.379 . . . . 0.0 110.762 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.588 ' H ' ' C ' ' A' ' 2' ' ' ABA . 75.7 m -58.34 -36.82 74.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.163 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -116.33 149.34 43.45 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.801 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.72 -27.57 78.22 Favored 'Trans proline' 0 N--CA 1.503 2.032 0 C-N-CA 122.679 2.252 . . . . 0.0 112.375 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -60.2 -20.53 59.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.929 -179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.803 ' O ' ' HG2' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -66.4 -16.96 64.49 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.125 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -65.3 -59.69 3.78 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.482 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -59.91 -36.43 76.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.005 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.4 t -57.31 -39.43 75.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.198 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.729 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . 0.651 ' O ' ' CG ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' H ' ' C ' ' A' ' 1' ' ' GLY . 43.1 t -71.85 -48.26 47.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.699 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.0 p -92.85 -10.49 36.52 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.599 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' ARG . 9.2 m-20 -74.52 127.2 87.85 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.129 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.14 -37.45 69.31 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 123.352 2.701 . . . . 0.0 112.019 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -70.23 -14.42 62.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.406 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.651 ' CG ' ' O ' ' A' ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 5' ' ' ASP . 56.7 ttt85 -52.78 -19.08 2.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.876 0.37 . . . . 0.0 110.461 179.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' N ' ' C ' ' A' ' 8' ' ' ABA . 1.7 m-85 -69.71 -50.37 44.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.747 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -92.51 144.81 24.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.78 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.3 t -161.88 119.27 2.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.495 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.561 179.797 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.544 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -48.54 -51.03 29.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.917 0.389 . . . . 0.0 110.808 179.185 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.544 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 73.5 m -62.94 -39.97 96.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -66.61 145.8 98.99 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.612 ' CB ' HH21 ' A' ' 9' ' ' ARG . 38.1 Cg_endo -68.81 -24.33 34.41 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 123.268 2.645 . . . . 0.0 112.339 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -76.31 -16.2 59.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.815 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.695 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.612 HH21 ' CB ' ' A' ' 6' ' ' PRO . 19.8 ptp180 -63.08 -13.81 40.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.632 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -69.06 -39.37 79.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -61.42 -39.6 91.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.965 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -41.41 88.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.569 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ptt-85 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.302 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . 0.592 ' C ' ' N ' ' A' ' 4' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.504 ' H ' ' C ' ' A' ' 1' ' ' GLY . 43.0 t -47.99 -11.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.404 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.592 ' N ' ' C ' ' A' ' 2' ' ' ABA . 95.4 p -59.86 -22.22 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -133.06 150.38 75.4 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.723 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -59.19 -30.03 91.99 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 123.453 2.769 . . . . 0.0 112.065 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.7 ptp180 -59.0 -20.33 52.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.8 ' O ' ' HG2' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -67.4 -15.3 63.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.355 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -67.52 -54.5 19.5 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.525 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -64.86 -37.37 87.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.521 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t -57.63 -45.54 85.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 -179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.574 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -47.28 -51.71 18.28 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.616 179.303 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.497 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 69.7 m -62.46 -40.14 95.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.686 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -69.46 130.36 90.81 Favored Pre-proline 0 CA--C 1.549 0.909 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.338 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.455 ' C ' ' H ' ' A' ' 8' ' ' ABA . 51.3 Cg_exo -51.99 -34.63 57.7 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.908 2.406 . . . . 0.0 112.33 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -63.65 -19.26 64.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.061 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ABA . . . . . 0.691 ' CG ' ' O ' ' A' ' 8' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -62.87 -19.56 64.26 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.319 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -65.05 -39.14 92.87 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.269 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' HG3' ' HG3' ' A' ' 8' ' ' ABA . 27.3 mmt180 -62.34 -39.98 94.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.928 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -40.86 93.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.574 179.869 . . . . . . . . 0 0 . 1 stop_ save_