data_2kvg_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 2kvg _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -44.4 -65.07 0.21 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.778 2.319 . . . . 0.0 112.202 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.441 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -114.05 79.39 1.25 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 109.451 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.09 93.02 9.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.272 -0.892 . . . . 0.0 109.524 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.6 t -87.59 113.24 53.38 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 63' ' ' LEU . 60.3 Cg_endo -78.49 -36.12 0.99 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.619 2.213 . . . . 0.0 112.136 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -35.98 -35.21 0.06 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.294 -0.879 . . . . 0.0 109.512 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.65 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -120.86 -21.31 6.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.273 -0.892 . . . . 0.0 109.381 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.65 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 8.4 tpp180 86.59 82.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -176.65 151.08 0.89 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.239 -0.913 . . . . 0.0 109.449 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.13 133.51 7.16 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.3 t -137.51 136.61 20.57 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.222 -1.164 . . . . 0.0 109.37 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -73.05 -11.16 25.19 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 t -103.1 137.23 41.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.205 -0.935 . . . . 0.0 109.396 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.441 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 2.7 tt -83.7 -43.71 15.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.0 109.592 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -34.02 57.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.225 -0.922 . . . . 0.0 109.507 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.4 t -69.62 -55.17 10.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.89 . . . . 0.0 109.528 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -41.13 96.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 0.0 109.48 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.441 ' C ' ' CD ' ' A' ' 75' ' ' GLN . 19.4 tm0? -57.81 -40.29 79.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 109.415 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.43 69.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.317 -0.864 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -79.3 -29.07 42.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.303 -0.873 . . . . 0.0 108.919 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mmt -60.58 -28.66 68.65 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.508 -0.745 . . . . 0.0 109.513 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 79' ' ' ARG . 1.5 ttt85 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -44.15 -57.73 1.8 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.769 2.312 . . . . 0.0 112.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.96 96.91 6.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.875 . . . . 0.0 109.563 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.58 90.96 3.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -84.64 114.9 58.11 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.26 -0.9 . . . . 0.0 109.524 -179.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.3 Cg_endo -78.89 -36.88 0.67 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.747 2.298 . . . . 0.0 112.201 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' PRO . 6.6 mt -39.79 -34.8 0.28 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.649 ' SG ' ' NE2' ' A' ' 77' ' ' HIS . 25.9 p -119.58 -21.89 7.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.948 . . . . 0.0 109.458 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.632 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 84.8 82.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.448 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -163.95 148.5 10.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.913 . . . . 0.0 109.416 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.95 112.76 0.92 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.26 134.89 20.3 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.299 -1.118 . . . . 0.0 109.372 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.45 -2.91 12.83 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.624 2.216 . . . . 0.0 112.228 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.8 p -110.28 137.36 48.12 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.232 -0.917 . . . . 0.0 109.28 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.444 ' C ' ' CD2' ' A' ' 71' ' ' LEU . 6.5 tt -82.32 -40.42 21.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.84 . . . . 0.0 109.399 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.21 70.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.441 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.0 t -66.85 -34.08 77.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.21 -0.931 . . . . 0.0 109.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.555 ' C ' ' SD ' ' A' ' 74' ' ' MET . 9.7 tmm? -70.42 -38.53 74.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 109.466 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.642 ' CD ' ' NH1' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -56.14 -36.02 67.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 0.0 109.436 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.44 -28.33 66.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.923 . . . . 0.0 109.422 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.649 ' NE2' ' SG ' ' A' ' 64' ' ' CYS . 0.5 OUTLIER -79.17 -28.39 42.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.26 -0.9 . . . . 0.0 108.842 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mmm -73.65 -37.39 65.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.459 -0.775 . . . . 0.0 109.385 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.642 ' NH1' ' CD ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.272 -0.893 . . . . 0.0 109.278 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.88 -58.68 1.33 Allowed 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.745 2.297 . . . . 0.0 112.14 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -129.59 99.14 5.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 0.0 109.403 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -102.71 89.66 3.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.573 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.6 OUTLIER -69.83 122.13 84.94 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.281 -0.887 . . . . 0.0 109.432 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.565 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.2 Cg_endo -77.42 -40.3 0.45 Allowed 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.754 2.302 . . . . 0.0 112.327 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.565 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.2 mp -33.77 -41.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 0.0 109.433 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 16.2 p -124.65 -21.28 4.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.326 -0.858 . . . . 0.0 109.311 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.09 75.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.0 109.429 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.24 148.78 32.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.185 -0.947 . . . . 0.0 109.369 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.03 123.93 5.84 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 131.06 20.05 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.292 -1.122 . . . . 0.0 109.309 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.13 -26.17 18.32 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.665 2.243 . . . . 0.0 112.298 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -95.24 137.19 34.62 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.131 -0.98 . . . . 0.0 109.328 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt -78.64 -37.27 42.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.246 -0.909 . . . . 0.0 109.465 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.64 -42.54 67.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.331 -0.855 . . . . 0.0 109.411 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 m -66.07 -50.43 64.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.214 -0.928 . . . . 0.0 109.445 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.63 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -57.76 -45.54 85.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 109.4 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -65.26 -51.29 61.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 109.369 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.23 61.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.258 -0.901 . . . . 0.0 109.351 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.31 -29.57 42.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.926 . . . . 0.0 108.678 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -28.77 66.86 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.505 -0.747 . . . . 0.0 109.402 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.248 -0.908 . . . . 0.0 109.299 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.28 -37.78 10.58 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.923 2.416 . . . . 0.0 112.207 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 43.1 m-85 -137.36 93.52 2.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.211 -0.931 . . . . 0.0 109.53 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' C ' ' CD ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -105.71 91.19 3.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 109.503 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 27.0 t -80.87 115.12 53.67 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.299 -0.876 . . . . 0.0 109.39 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -78.69 -31.18 2.63 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.673 2.249 . . . . 0.0 112.285 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.35 -21.28 1.35 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -0.882 . . . . 0.0 109.514 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -125.75 -27.1 3.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.542 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.664 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER 87.23 54.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 109.41 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.06 150.21 35.54 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.221 -0.924 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.45 114.8 1.5 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.7 m -120.88 129.95 25.07 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.207 -1.172 . . . . 0.0 109.434 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -73.86 -4.3 15.19 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.625 2.216 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.407 ' HG ' ' HB2' ' A' ' 73' ' ' SER . 2.7 p -110.94 137.28 48.77 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.187 -0.946 . . . . 0.0 109.304 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 5.6 tt -72.91 -30.79 64.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.363 -0.836 . . . . 0.0 109.433 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -50.83 69.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.328 -0.858 . . . . 0.0 109.366 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.407 ' HB2' ' HG ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -57.2 -37.82 72.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.239 -0.913 . . . . 0.0 109.434 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.432 ' SD ' ' HB3' ' A' ' 59' ' ' TYR . 44.6 ttp -76.83 -39.78 50.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 109.407 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -31.92 63.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.216 -0.927 . . . . 0.0 109.433 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.73 -27.8 64.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 0.0 109.459 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.615 ' C ' ' ND1' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -79.24 -32.43 43.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.282 -0.886 . . . . 0.0 108.869 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.516 ' N ' ' HD1' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -61.39 -34.66 75.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.557 -0.714 . . . . 0.0 109.437 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.2 -0.938 . . . . 0.0 109.163 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -46.16 -51.53 8.45 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.715 2.277 . . . . 0.0 112.202 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -126.95 84.02 2.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -0.909 . . . . 0.0 109.548 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -100.79 93.06 5.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -0.849 . . . . 0.0 109.391 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 t -84.32 118.76 71.97 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.591 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.1 Cg_endo -78.07 -35.06 1.44 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.73 2.287 . . . . 0.0 112.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' PRO . 3.0 mt -40.81 -32.49 0.22 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.315 -0.866 . . . . 0.0 109.554 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.638 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.6 p -118.46 -25.19 6.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.0 109.439 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.638 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 86.02 65.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 0.0 109.331 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.84 159.24 32.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.369 -0.832 . . . . 0.0 109.55 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.72 139.18 9.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 m -143.12 130.19 10.75 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.218 -1.166 . . . . 0.0 109.391 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.06 -4.27 15.13 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.627 2.218 . . . . 0.0 112.24 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -108.9 137.38 46.91 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.228 -0.92 . . . . 0.0 109.424 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tt -82.69 -37.11 25.24 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.281 -0.887 . . . . 0.0 109.462 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.9 -43.18 77.01 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.389 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.5 t -73.21 -40.08 65.02 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.178 -0.951 . . . . 0.0 109.407 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -28.56 64.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.298 -0.876 . . . . 0.0 109.502 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -67.27 -43.25 82.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.215 -0.928 . . . . 0.0 109.462 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.64 69.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.882 . . . . 0.0 109.417 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -35.92 41.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 108.786 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.14 -29.27 63.46 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.523 -0.736 . . . . 0.0 109.366 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.306 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.1 -54.59 3.74 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.9 2.4 . . . . 0.0 112.175 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.442 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 45.4 m-85 -129.87 86.65 2.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.148 -0.97 . . . . 0.0 109.499 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.467 HH12 ' HD2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -99.76 92.44 5.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 109.462 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -78.95 115.53 53.03 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.898 . . . . 0.0 109.406 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.3 Cg_endo -78.5 -30.36 3.22 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.676 2.251 . . . . 0.0 112.267 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 62' ' ' PRO . 37.2 mt -40.69 -39.94 1.19 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.254 -0.903 . . . . 0.0 109.645 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.622 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -125.16 -15.87 6.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.476 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.622 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 5.8 tpt180 84.97 84.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 0.0 109.454 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.36 156.43 32.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.497 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.94 125.34 3.7 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 p -132.21 128.27 21.23 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.283 -1.128 . . . . 0.0 109.445 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.32 -19.84 19.22 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.538 2.159 . . . . 0.0 112.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -100.05 137.22 38.8 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.227 -0.921 . . . . 0.0 109.311 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 4.4 tt -68.9 -35.72 77.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.457 -0.777 . . . . 0.0 109.442 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.87 -44.87 70.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.27 -0.894 . . . . 0.0 109.374 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.1 m -64.32 -44.69 90.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.351 -0.843 . . . . 0.0 109.301 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.55 ' C ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -55.38 -52.89 62.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.313 -0.867 . . . . 0.0 109.399 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -61.36 -46.57 89.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.305 -0.872 . . . . 0.0 109.284 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.59 -26.38 43.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.313 -0.867 . . . . 0.0 109.321 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.48 ' NE2' ' SG ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -78.96 -28.37 43.65 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.286 -0.884 . . . . 0.0 108.802 179.78 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.5 mmm -73.31 -30.4 63.36 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.54 -0.725 . . . . 0.0 109.504 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.931 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HB1' ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -42.22 -30.31 1.35 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.417 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 17.7 m-85 -149.38 84.12 1.43 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.279 -0.888 . . . . 0.0 109.537 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.416 ' CZ ' ' HB1' ' A' ' 57' ' ' ALA . 13.0 tpp180 -104.96 88.06 2.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.274 -0.891 . . . . 0.0 109.417 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -78.18 115.05 47.71 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.56 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -79.09 -27.54 4.43 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.686 2.257 . . . . 0.0 112.235 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.8 tp -46.36 -35.44 5.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.244 -0.91 . . . . 0.0 109.434 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.9 p -123.68 -17.14 6.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.423 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.632 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.74 80.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 109.398 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.32 148.94 23.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 109.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.29 121.5 2.2 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 m -139.43 132.68 15.57 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.242 -1.152 . . . . 0.0 109.48 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -72.98 -18.8 23.89 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.671 2.247 . . . . 0.0 112.294 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.67 137.42 34.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.156 -0.965 . . . . 0.0 109.434 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.417 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 1.0 OUTLIER -79.12 -46.77 17.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.888 . . . . 0.0 109.431 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.77 -38.43 64.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 t -72.06 -37.72 69.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.263 -0.898 . . . . 0.0 109.347 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.537 ' SD ' ' O ' ' A' ' 74' ' ' MET . 4.4 tpp -71.26 -40.41 70.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.334 -0.854 . . . . 0.0 109.447 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -59.69 -35.8 75.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 0.0 109.412 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.95 -30.33 46.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.315 -0.865 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -79.03 -35.76 42.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.278 -0.889 . . . . 0.0 108.857 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -28.42 39.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.541 -0.725 . . . . 0.0 109.35 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 N--CA 1.489 1.49 0 O-C-N 121.231 -0.918 . . . . 0.0 109.146 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -46.65 -55.89 3.43 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.816 2.344 . . . . 0.0 112.156 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.474 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 54.8 m-85 -124.13 97.15 5.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.0 109.421 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 90.34 3.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.548 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 28.4 p -80.57 115.09 52.9 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.889 . . . . 0.0 109.467 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -78.89 -26.66 5.28 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.718 2.279 . . . . 0.0 112.318 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 mp -46.0 -38.07 7.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.355 -0.84 . . . . 0.0 109.495 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 14.0 p -121.6 -18.19 7.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 109.466 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.625 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 84.37 68.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.885 . . . . 0.0 109.454 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.427 ' HB1' ' SG ' ' A' ' 61' ' ' CYS . . . -144.36 148.87 35.27 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.2 -0.938 . . . . 0.0 109.454 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.58 127.43 4.29 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.7 t -142.24 129.52 11.3 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.311 -1.111 . . . . 0.0 109.371 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.63 -3.48 13.8 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.543 ' HG ' ' CB ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -101.99 137.56 40.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.145 -0.972 . . . . 0.0 109.53 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 1.5 tt -83.69 -42.19 16.9 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -0.886 . . . . 0.0 109.465 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.15 -57.31 12.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 109.567 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.543 ' CB ' ' HG ' ' A' ' 70' ' ' SER . 2.2 t -55.55 -43.85 76.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.163 -0.961 . . . . 0.0 109.433 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.605 ' SD ' ' O ' ' A' ' 74' ' ' MET . 3.1 tpp -69.1 -35.95 77.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' LEU . 13.2 tt0 -61.71 -42.02 98.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 0.0 109.455 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.31 -34.03 76.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.477 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' ND1' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -79.26 -32.66 43.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.235 -0.916 . . . . 0.0 108.821 179.672 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -28.61 31.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.517 -0.739 . . . . 0.0 109.373 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.269 -0.894 . . . . 0.0 109.235 179.853 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.13 -53.57 4.61 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.849 2.366 . . . . 0.0 112.157 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CD1' ' SD ' ' A' ' 74' ' ' MET . 1.3 m-85 -126.0 84.07 2.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 0.0 109.401 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -97.62 92.05 5.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.282 -0.886 . . . . 0.0 109.544 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 9.7 t -71.71 114.99 33.23 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.233 -0.917 . . . . 0.0 109.416 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.0 Cg_endo -78.87 -36.03 0.86 Allowed 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.694 2.263 . . . . 0.0 112.251 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.1 mt -43.86 -33.04 1.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.88 . . . . 0.0 109.513 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -125.63 -17.83 5.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.237 -0.915 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 79.94 72.47 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.326 -0.859 . . . . 0.0 109.255 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.89 158.6 43.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.89 . . . . 0.0 109.303 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.08 124.08 3.29 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.7 m -140.6 126.56 11.57 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.272 -1.134 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -73.82 -2.01 11.63 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.62 2.213 . . . . 0.0 112.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -113.92 137.28 51.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.258 -0.901 . . . . 0.0 109.274 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.444 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 1.9 tt -76.45 -37.67 56.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.0 109.456 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.79 -34.62 65.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.929 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.08 -48.65 67.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.332 -0.855 . . . . 0.0 109.397 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 59' ' ' TYR . 0.6 OUTLIER -68.47 -41.16 80.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 0.0 109.376 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -37.6 81.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.474 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -32.08 73.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.217 -0.927 . . . . 0.0 109.448 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -28.7 42.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -0.905 . . . . 0.0 108.894 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mmm -54.3 -28.61 43.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.451 -0.781 . . . . 0.0 109.469 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 109.334 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -45.1 -65.73 0.18 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.906 2.404 . . . . 0.0 112.393 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.719 ' HH ' ' CD1' ' A' ' 71' ' ' LEU . 87.9 m-85 -105.1 99.26 8.88 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.246 -0.909 . . . . 0.0 109.623 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' O ' ' HD3' ' A' ' 62' ' ' PRO . 8.8 tpt180 -110.78 90.74 3.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.448 ' SG ' HD12 ' A' ' 63' ' ' LEU . 41.9 t -87.96 112.21 47.69 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.327 -0.858 . . . . 0.0 109.688 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' LEU . 72.9 Cg_endo -82.27 -26.83 2.59 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.747 2.298 . . . . 0.0 112.001 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.448 HD12 ' SG ' ' A' ' 61' ' ' CYS . 10.6 mt -42.33 -39.94 2.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.841 . . . . 0.0 109.567 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.755 ' SG ' ' NE2' ' A' ' 77' ' ' HIS . 0.8 OUTLIER -124.31 -11.45 7.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.237 -0.914 . . . . 0.0 109.343 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.646 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.8 OUTLIER 84.33 83.78 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.317 -0.864 . . . . 0.0 109.441 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.98 148.18 27.42 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.196 -0.94 . . . . 0.0 109.613 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.49 108.4 0.56 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 131.68 16.39 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.231 -1.158 . . . . 0.0 109.44 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.23 -4.58 15.67 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.632 2.221 . . . . 0.0 112.31 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.21 137.51 39.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.212 -0.93 . . . . 0.0 109.361 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.719 ' CD1' ' HH ' ' A' ' 59' ' ' TYR . 2.3 tt -83.65 -43.0 16.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.312 -0.868 . . . . 0.0 109.475 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.25 77.21 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.2 m -73.56 -33.61 64.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.171 -0.956 . . . . 0.0 109.521 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.648 ' SD ' ' O ' ' A' ' 74' ' ' MET . 7.5 tpp -77.37 -42.75 35.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.155 -0.966 . . . . 0.0 109.393 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -44.52 91.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.198 -0.939 . . . . 0.0 109.4 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.46 51.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.278 -0.889 . . . . 0.0 109.379 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.755 ' NE2' ' SG ' ' A' ' 64' ' ' CYS . 8.6 t60 -79.51 -30.08 41.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.267 -0.895 . . . . 0.0 108.703 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.3 mmm -75.06 -34.26 61.8 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.553 -0.717 . . . . 0.0 109.475 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.226 -0.921 . . . . 0.0 109.346 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -46.92 -69.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.863 2.376 . . . . 0.0 112.182 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -105.41 94.34 5.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 109.4 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.581 ' NH2' HH11 ' A' ' 65' ' ' ARG . 0.0 OUTLIER -106.41 90.67 3.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.322 -0.862 . . . . 0.0 109.515 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.678 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -76.12 115.02 43.1 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -78.19 -37.56 0.76 Allowed 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.599 2.199 . . . . 0.0 112.191 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mt -47.29 -22.8 0.45 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.699 ' SG ' ' NE2' ' A' ' 77' ' ' HIS . 19.2 p -124.04 -28.28 3.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 109.42 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER 85.12 59.3 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 0.0 109.403 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.28 154.75 42.69 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.256 -0.903 . . . . 0.0 109.527 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.71 128.87 5.3 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.1 t -139.57 128.73 13.81 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.168 -1.195 . . . . 0.0 109.532 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.48 -16.58 21.55 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.629 2.219 . . . . 0.0 112.189 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -105.98 137.07 44.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.179 -0.95 . . . . 0.0 109.373 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 1.5 tt -79.96 -33.68 39.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.323 -0.861 . . . . 0.0 109.395 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.15 -51.61 63.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.528 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.3 m -72.89 -33.2 65.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.894 . . . . 0.0 109.559 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -37.4 87.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.53 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -64.79 -31.86 73.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.73 78.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.262 -0.899 . . . . 0.0 109.46 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.699 ' NE2' ' SG ' ' A' ' 64' ' ' CYS . 0.9 OUTLIER -79.64 -35.27 39.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.201 -0.937 . . . . 0.0 108.63 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.0 mtp -64.28 -32.04 73.47 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.651 -0.656 . . . . 0.0 109.373 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.351 -0.843 . . . . 0.0 109.144 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.1 -73.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.731 2.287 . . . . 0.0 112.186 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.13 90.86 4.52 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.169 -0.957 . . . . 0.0 109.496 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.97 91.41 5.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.288 -0.883 . . . . 0.0 109.383 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 43.5 t -81.19 115.38 55.9 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.176 -0.953 . . . . 0.0 109.571 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -78.76 -36.89 0.71 Allowed 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.702 2.268 . . . . 0.0 112.196 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 mp -46.91 -29.36 1.98 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.372 -0.83 . . . . 0.0 109.515 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.7 p -116.1 -28.01 6.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.612 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.93 71.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.325 -0.859 . . . . 0.0 109.219 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -165.26 150.62 9.35 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.293 -0.879 . . . . 0.0 109.452 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.14 118.99 3.97 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 126.69 24.99 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.247 -1.149 . . . . 0.0 109.327 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.71 -14.55 24.42 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.644 2.229 . . . . 0.0 112.29 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.49 137.14 45.01 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.184 -0.948 . . . . 0.0 109.294 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 1.9 tt -83.57 -33.72 25.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.329 -0.857 . . . . 0.0 109.452 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.55 -43.15 68.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.34 -0.85 . . . . 0.0 109.443 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.3 p -68.14 -54.05 20.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 109.406 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.9 ttp -60.11 -34.19 73.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.209 -0.932 . . . . 0.0 109.486 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -60.44 -34.78 74.47 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.161 -0.962 . . . . 0.0 109.519 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.0 -27.88 66.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.218 -0.926 . . . . 0.0 109.434 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.456 ' ND1' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -79.05 -28.61 43.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.213 -0.929 . . . . 0.0 108.917 179.792 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.456 ' N ' ' ND1' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -53.21 -28.64 27.97 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.445 -0.784 . . . . 0.0 109.334 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.418 -0.801 . . . . 0.0 109.317 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -43.0 -41.48 9.1 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.062 2.508 . . . . 0.0 112.54 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -132.13 88.8 2.59 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.231 -0.918 . . . . 0.0 109.624 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -90.63 91.41 8.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.29 -0.881 . . . . 0.0 109.356 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.697 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 53.5 t -69.66 113.98 21.19 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.411 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -80.39 -35.3 0.63 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.19 -29.26 3.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.241 -0.912 . . . . 0.0 109.574 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.697 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -121.5 -21.45 6.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.897 . . . . 0.0 109.393 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.573 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 82.49 61.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.371 -0.831 . . . . 0.0 109.225 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.87 170.71 15.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.369 -0.832 . . . . 0.0 109.358 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.21 123.58 2.13 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.59 129.76 18.62 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.274 -1.133 . . . . 0.0 109.257 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -72.93 -1.36 10.36 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.581 2.187 . . . . 0.0 112.347 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.51 137.3 48.39 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.166 -0.959 . . . . 0.0 109.323 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.65 -42.27 16.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.0 109.483 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.21 -48.27 74.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.248 -0.907 . . . . 0.0 109.463 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -47.67 75.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.407 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.555 ' C ' ' SD ' ' A' ' 74' ' ' MET . 5.8 tmm? -67.73 -46.99 70.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.264 -0.898 . . . . 0.0 109.374 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -41.04 80.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 0.0 109.411 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.14 65.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.892 . . . . 0.0 109.526 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -28.5 43.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.863 . . . . 0.0 108.827 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.9 mmm -60.57 -29.95 69.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.52 -0.737 . . . . 0.0 109.546 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.223 -0.923 . . . . 0.0 109.413 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.96 -52.89 4.36 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.868 2.379 . . . . 0.0 112.259 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -125.86 80.83 1.94 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.236 -0.915 . . . . 0.0 109.391 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 60' ' ' ARG . 9.1 tmm_? -88.98 92.96 9.44 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.842 . . . . 0.0 109.395 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.2 t -77.36 114.04 36.83 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.886 . . . . 0.0 109.531 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 63' ' ' LEU . 71.6 Cg_endo -80.68 -33.52 0.88 Allowed 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.761 2.307 . . . . 0.0 112.223 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' A' ' 62' ' ' PRO . 20.2 mt -37.47 -39.5 0.31 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.0 109.705 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.645 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -128.33 -12.04 5.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.125 -0.984 . . . . 0.0 109.675 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.645 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 85.22 97.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.273 -0.892 . . . . 0.0 109.421 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -168.36 156.11 8.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.908 . . . . 0.0 109.46 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.43 97.88 0.32 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.0 119.46 54.26 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -1.141 . . . . 0.0 109.283 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.83 -16.35 18.47 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.505 2.137 . . . . 0.0 112.382 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.28 137.31 40.71 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.137 -0.977 . . . . 0.0 109.32 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' A' ' 71' ' ' LEU . 2.2 tt -70.91 -41.57 71.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 0.0 109.363 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.46 69.66 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.22 -0.925 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -68.97 -34.42 75.29 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.265 -0.897 . . . . 0.0 109.208 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.0 tpt -65.68 -50.18 65.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.242 -0.911 . . . . 0.0 109.404 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.55 -45.27 94.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.905 . . . . 0.0 109.331 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.47 -29.19 49.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.263 -0.898 . . . . 0.0 109.206 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.09 -28.54 43.06 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.3 mmt -68.6 -28.5 66.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.571 -0.706 . . . . 0.0 109.39 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 O-C-N 121.265 -0.897 . . . . 0.0 108.974 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -42.08 -66.85 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.832 2.355 . . . . 0.0 112.391 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -106.04 97.38 7.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.889 . . . . 0.0 109.713 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 90.58 3.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.358 -0.839 . . . . 0.0 109.256 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 39.4 t -82.18 114.06 48.23 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 0.0 109.572 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' LEU . 73.6 Cg_endo -80.92 -34.92 0.55 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.821 2.347 . . . . 0.0 112.304 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.438 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -43.65 -33.88 1.32 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.334 -0.854 . . . . 0.0 109.736 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.647 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -117.73 -24.83 7.05 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.915 . . . . 0.0 109.507 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.647 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.2 tpp85 85.97 82.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.378 -0.826 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -173.53 148.7 1.58 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.235 -0.916 . . . . 0.0 109.458 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.16 121.73 4.0 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 m -134.34 129.73 19.83 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.237 -1.155 . . . . 0.0 109.365 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.78 -0.71 9.77 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.623 2.216 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m -107.71 137.55 45.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.18 -0.95 . . . . 0.0 109.325 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 2.3 tt -78.38 -31.95 48.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 109.461 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.5 -52.89 58.14 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -0.912 . . . . 0.0 109.37 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -42.3 98.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.0 109.355 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -62.75 -45.21 93.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.871 . . . . 0.0 109.415 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -68.95 -41.63 77.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 0.0 109.402 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.91 69.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.221 -0.924 . . . . 0.0 109.5 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.468 ' CD2' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -79.48 -34.44 41.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 0.0 108.788 179.699 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.72 -28.73 67.58 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.58 -0.7 . . . . 0.0 109.565 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.349 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.67 156.82 90.09 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.206 -0.934 . . . . 0.0 109.482 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -44.4 -65.07 0.21 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.778 2.319 . . . . 0.0 112.202 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.441 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -114.05 79.39 1.25 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 109.451 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.09 93.02 9.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.272 -0.892 . . . . 0.0 109.524 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.6 t -87.59 113.24 53.38 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 63' ' ' LEU . 60.3 Cg_endo -78.49 -36.12 0.99 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.619 2.213 . . . . 0.0 112.136 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -35.98 -35.21 0.06 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.294 -0.879 . . . . 0.0 109.512 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.65 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -120.86 -21.31 6.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.273 -0.892 . . . . 0.0 109.381 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.65 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 8.4 tpp180 86.59 82.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -176.65 151.08 0.89 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.239 -0.913 . . . . 0.0 109.449 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.13 133.51 7.16 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.3 t -137.51 136.61 20.57 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.222 -1.164 . . . . 0.0 109.37 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -73.05 -11.16 25.19 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 t -103.1 137.23 41.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.205 -0.935 . . . . 0.0 109.396 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.441 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 2.7 tt -83.7 -43.71 15.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.0 109.592 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -34.02 57.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.225 -0.922 . . . . 0.0 109.507 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.4 t -69.62 -55.17 10.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.89 . . . . 0.0 109.528 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -41.13 96.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 0.0 109.48 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.441 ' C ' ' CD ' ' A' ' 75' ' ' GLN . 19.4 tm0? -57.81 -40.29 79.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 109.415 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.43 69.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.317 -0.864 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.663 ' NE2' ' CD2' ' A' ' 81' ' ' HIS . 0.9 OUTLIER -79.3 -29.07 42.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.303 -0.873 . . . . 0.0 108.919 179.79 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mmt -60.58 -28.66 68.65 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.508 -0.745 . . . . 0.0 109.513 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 79' ' ' ARG . 1.5 ttt85 -67.03 -18.87 65.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 82' ' ' SER . . . -96.89 -15.91 37.79 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.663 ' CD2' ' NE2' ' A' ' 77' ' ' HIS . 0.3 OUTLIER -63.98 79.39 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.243 -1.151 . . . . 0.0 109.556 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.545 ' O ' ' OG ' ' A' ' 82' ' ' SER . 8.3 p . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.449 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.51 154.08 38.1 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.883 . . . . 0.0 109.499 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -44.15 -57.73 1.8 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.769 2.312 . . . . 0.0 112.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.96 96.91 6.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.875 . . . . 0.0 109.563 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.58 90.96 3.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.64 114.9 58.11 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.26 -0.9 . . . . 0.0 109.524 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.3 Cg_endo -78.89 -36.88 0.67 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.747 2.298 . . . . 0.0 112.201 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' PRO . 6.6 mt -39.79 -34.8 0.28 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 25.9 p -119.58 -21.89 7.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.948 . . . . 0.0 109.458 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.632 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 84.8 82.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.448 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -163.95 148.5 10.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.913 . . . . 0.0 109.416 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.95 112.76 0.92 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.26 134.89 20.3 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.299 -1.118 . . . . 0.0 109.372 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.45 -2.91 12.83 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.624 2.216 . . . . 0.0 112.228 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.8 p -110.28 137.36 48.12 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.232 -0.917 . . . . 0.0 109.28 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.444 ' C ' ' CD2' ' A' ' 71' ' ' LEU . 6.5 tt -82.32 -40.42 21.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.84 . . . . 0.0 109.399 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.21 70.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.441 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.0 t -66.85 -34.08 77.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.21 -0.931 . . . . 0.0 109.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.555 ' C ' ' SD ' ' A' ' 74' ' ' MET . 9.7 tmm? -70.42 -38.53 74.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 109.466 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.642 ' CD ' ' NH1' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -56.14 -36.02 67.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 0.0 109.436 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.44 -28.33 66.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.923 . . . . 0.0 109.422 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.594 ' CE1' ' CD2' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -79.17 -28.39 42.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.26 -0.9 . . . . 0.0 108.842 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mmm -73.65 -37.39 65.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.459 -0.775 . . . . 0.0 109.385 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.642 ' NH1' ' CD ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -67.41 -10.71 53.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.272 -0.893 . . . . 0.0 109.278 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -110.58 -5.44 27.8 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.594 ' CD2' ' CE1' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -61.04 104.71 0.4 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.3 -1.118 . . . . 0.0 109.426 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.416 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -167.7 154.59 7.77 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.347 -0.846 . . . . 0.0 109.402 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.88 -58.68 1.33 Allowed 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.745 2.297 . . . . 0.0 112.14 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -129.59 99.14 5.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 0.0 109.403 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -102.71 89.66 3.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.573 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -69.83 122.13 84.94 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.281 -0.887 . . . . 0.0 109.432 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.565 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.2 Cg_endo -77.42 -40.3 0.45 Allowed 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.754 2.302 . . . . 0.0 112.327 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.565 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.2 mp -33.77 -41.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 0.0 109.433 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 16.2 p -124.65 -21.28 4.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.326 -0.858 . . . . 0.0 109.311 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.09 75.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.0 109.429 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.24 148.78 32.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.185 -0.947 . . . . 0.0 109.369 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.03 123.93 5.84 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 131.06 20.05 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.292 -1.122 . . . . 0.0 109.309 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.13 -26.17 18.32 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.665 2.243 . . . . 0.0 112.298 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -95.24 137.19 34.62 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.131 -0.98 . . . . 0.0 109.328 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.5 tt -78.64 -37.27 42.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.246 -0.909 . . . . 0.0 109.465 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.64 -42.54 67.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.331 -0.855 . . . . 0.0 109.411 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 m -66.07 -50.43 64.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.214 -0.928 . . . . 0.0 109.445 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.63 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -57.76 -45.54 85.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 109.4 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -65.26 -51.29 61.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 109.369 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.23 61.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.258 -0.901 . . . . 0.0 109.351 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.31 -29.57 42.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.926 . . . . 0.0 108.678 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -28.77 66.86 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.505 -0.747 . . . . 0.0 109.402 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -68.59 -15.52 63.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.248 -0.908 . . . . 0.0 109.299 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.92 10.8 9.5 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -22.7 7.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.283 -1.127 . . . . 0.0 109.441 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.477 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.59 164.31 15.37 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.237 -0.914 . . . . 0.0 109.493 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.28 -37.78 10.58 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.923 2.416 . . . . 0.0 112.207 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 43.1 m-85 -137.36 93.52 2.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.211 -0.931 . . . . 0.0 109.53 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' C ' ' CD ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -105.71 91.19 3.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 109.503 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.0 t -80.87 115.12 53.67 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.299 -0.876 . . . . 0.0 109.39 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -78.69 -31.18 2.63 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.673 2.249 . . . . 0.0 112.285 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.35 -21.28 1.35 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -0.882 . . . . 0.0 109.514 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.664 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -125.75 -27.1 3.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.542 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.664 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER 87.23 54.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 109.41 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.06 150.21 35.54 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.221 -0.924 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.45 114.8 1.5 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.7 m -120.88 129.95 25.07 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.207 -1.172 . . . . 0.0 109.434 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -73.86 -4.3 15.19 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.625 2.216 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.407 ' HG ' ' HB2' ' A' ' 73' ' ' SER . 2.7 p -110.94 137.28 48.77 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.187 -0.946 . . . . 0.0 109.304 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 5.6 tt -72.91 -30.79 64.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.363 -0.836 . . . . 0.0 109.433 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -50.83 69.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.328 -0.858 . . . . 0.0 109.366 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.407 ' HB2' ' HG ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -57.2 -37.82 72.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.239 -0.913 . . . . 0.0 109.434 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.432 ' SD ' ' HB3' ' A' ' 59' ' ' TYR . 44.6 ttp -76.83 -39.78 50.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 109.407 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -31.92 63.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.216 -0.927 . . . . 0.0 109.433 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.73 -27.8 64.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 0.0 109.459 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.777 ' NE2' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -79.24 -32.43 43.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.282 -0.886 . . . . 0.0 108.869 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.516 ' N ' ' HD1' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -61.39 -34.66 75.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.557 -0.714 . . . . 0.0 109.437 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -22.83 66.13 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.2 -0.938 . . . . 0.0 109.163 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.71 -13.56 56.59 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.777 ' CE1' ' NE2' ' A' ' 77' ' ' HIS . 1.2 m80 -96.48 167.86 10.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -1.137 . . . . 0.0 109.413 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.442 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.56 162.09 34.25 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.188 -0.945 . . . . 0.0 109.476 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -46.16 -51.53 8.45 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.715 2.277 . . . . 0.0 112.202 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -126.95 84.02 2.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -0.909 . . . . 0.0 109.548 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -100.79 93.06 5.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -0.849 . . . . 0.0 109.391 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 t -84.32 118.76 71.97 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.591 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.1 Cg_endo -78.07 -35.06 1.44 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.73 2.287 . . . . 0.0 112.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' PRO . 3.0 mt -40.81 -32.49 0.22 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.315 -0.866 . . . . 0.0 109.554 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.638 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.6 p -118.46 -25.19 6.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.0 109.439 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.638 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 86.02 65.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 0.0 109.331 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.84 159.24 32.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.369 -0.832 . . . . 0.0 109.55 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.72 139.18 9.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 m -143.12 130.19 10.75 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.218 -1.166 . . . . 0.0 109.391 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.06 -4.27 15.13 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.627 2.218 . . . . 0.0 112.24 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -108.9 137.38 46.91 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.228 -0.92 . . . . 0.0 109.424 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 tt -82.69 -37.11 25.24 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.281 -0.887 . . . . 0.0 109.462 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.9 -43.18 77.01 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.389 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.5 t -73.21 -40.08 65.02 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.178 -0.951 . . . . 0.0 109.407 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -28.56 64.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.298 -0.876 . . . . 0.0 109.502 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -67.27 -43.25 82.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.215 -0.928 . . . . 0.0 109.462 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.64 69.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.882 . . . . 0.0 109.417 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -35.92 41.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 108.786 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.14 -29.27 63.46 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.523 -0.736 . . . . 0.0 109.366 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -6.36 16.05 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.306 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -104.71 -10.64 32.51 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -110.12 4.27 20.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.309 -1.113 . . . . 0.0 109.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.501 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.49 158.87 31.12 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.254 -0.904 . . . . 0.0 109.444 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.1 -54.59 3.74 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.9 2.4 . . . . 0.0 112.175 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.442 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 45.4 m-85 -129.87 86.65 2.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.148 -0.97 . . . . 0.0 109.499 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.467 HH12 ' HD2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -99.76 92.44 5.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 109.462 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.95 115.53 53.03 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.898 . . . . 0.0 109.406 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.3 Cg_endo -78.5 -30.36 3.22 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.676 2.251 . . . . 0.0 112.267 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 62' ' ' PRO . 37.2 mt -40.69 -39.94 1.19 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.254 -0.903 . . . . 0.0 109.645 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.622 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -125.16 -15.87 6.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.476 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.622 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 5.8 tpt180 84.97 84.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 0.0 109.454 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.36 156.43 32.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.497 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.94 125.34 3.7 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 p -132.21 128.27 21.23 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.283 -1.128 . . . . 0.0 109.445 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.32 -19.84 19.22 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.538 2.159 . . . . 0.0 112.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -100.05 137.22 38.8 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.227 -0.921 . . . . 0.0 109.311 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 4.4 tt -68.9 -35.72 77.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.457 -0.777 . . . . 0.0 109.442 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.87 -44.87 70.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.27 -0.894 . . . . 0.0 109.374 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.1 m -64.32 -44.69 90.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.351 -0.843 . . . . 0.0 109.301 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.55 ' C ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -55.38 -52.89 62.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.313 -0.867 . . . . 0.0 109.399 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -61.36 -46.57 89.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.305 -0.872 . . . . 0.0 109.284 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.59 -26.38 43.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.313 -0.867 . . . . 0.0 109.321 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.421 ' ND1' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -78.96 -28.37 43.65 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.286 -0.884 . . . . 0.0 108.802 179.78 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.5 mmm -73.31 -30.4 63.36 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.54 -0.725 . . . . 0.0 109.504 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -17.86 64.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.931 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.78 -2.59 55.2 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.475 ' O ' ' OG ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -97.16 -18.59 19.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.355 -1.085 . . . . 0.0 109.504 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 81' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.534 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.355 0.598 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HB1' ' CZ ' ' A' ' 60' ' ' ARG . . . -52.35 136.0 41.42 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.166 -0.959 . . . . 0.0 109.454 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -42.22 -30.31 1.35 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.417 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 17.7 m-85 -149.38 84.12 1.43 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.279 -0.888 . . . . 0.0 109.537 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' CZ ' ' HB1' ' A' ' 57' ' ' ALA . 13.0 tpp180 -104.96 88.06 2.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.274 -0.891 . . . . 0.0 109.417 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.18 115.05 47.71 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.56 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -79.09 -27.54 4.43 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.686 2.257 . . . . 0.0 112.235 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.8 tp -46.36 -35.44 5.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.244 -0.91 . . . . 0.0 109.434 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.9 p -123.68 -17.14 6.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.423 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.632 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.74 80.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 109.398 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.32 148.94 23.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 109.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.29 121.5 2.2 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 m -139.43 132.68 15.57 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.242 -1.152 . . . . 0.0 109.48 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -72.98 -18.8 23.89 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.671 2.247 . . . . 0.0 112.294 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.67 137.42 34.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.156 -0.965 . . . . 0.0 109.434 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.417 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 1.0 OUTLIER -79.12 -46.77 17.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.888 . . . . 0.0 109.431 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.77 -38.43 64.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 t -72.06 -37.72 69.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.263 -0.898 . . . . 0.0 109.347 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.537 ' SD ' ' O ' ' A' ' 74' ' ' MET . 4.4 tpp -71.26 -40.41 70.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.334 -0.854 . . . . 0.0 109.447 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -59.69 -35.8 75.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 0.0 109.412 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.95 -30.33 46.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.315 -0.865 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -79.03 -35.76 42.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.278 -0.889 . . . . 0.0 108.857 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -28.42 39.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.541 -0.725 . . . . 0.0 109.35 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -63.82 -15.98 60.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.231 -0.918 . . . . 0.0 109.146 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.26 -7.74 59.23 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.553 ' O ' ' C ' ' A' ' 82' ' ' SER . 2.8 m-70 -99.53 -82.94 0.43 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.315 -1.109 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 81' ' ' HIS . 11.3 m . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.43 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.01 164.68 16.01 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.204 -0.935 . . . . 0.0 109.477 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -46.65 -55.89 3.43 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.816 2.344 . . . . 0.0 112.156 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.474 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 54.8 m-85 -124.13 97.15 5.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.0 109.421 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 90.34 3.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.548 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 28.4 p -80.57 115.09 52.9 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.889 . . . . 0.0 109.467 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -78.89 -26.66 5.28 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.718 2.279 . . . . 0.0 112.318 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 mp -46.0 -38.07 7.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.355 -0.84 . . . . 0.0 109.495 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 14.0 p -121.6 -18.19 7.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 109.466 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.625 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 84.37 68.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.885 . . . . 0.0 109.454 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.427 ' HB1' ' SG ' ' A' ' 61' ' ' CYS . . . -144.36 148.87 35.27 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.2 -0.938 . . . . 0.0 109.454 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.58 127.43 4.29 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.7 t -142.24 129.52 11.3 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.311 -1.111 . . . . 0.0 109.371 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.63 -3.48 13.8 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.543 ' HG ' ' CB ' ' A' ' 73' ' ' SER . 0.0 OUTLIER -101.99 137.56 40.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.145 -0.972 . . . . 0.0 109.53 179.851 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' HG ' ' CZ ' ' A' ' 59' ' ' TYR . 1.5 tt -83.69 -42.19 16.9 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -0.886 . . . . 0.0 109.465 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.15 -57.31 12.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 109.567 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.543 ' CB ' ' HG ' ' A' ' 70' ' ' SER . 2.2 t -55.55 -43.85 76.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.163 -0.961 . . . . 0.0 109.433 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.605 ' SD ' ' O ' ' A' ' 74' ' ' MET . 3.1 tpp -69.1 -35.95 77.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 71' ' ' LEU . 13.2 tt0 -61.71 -42.02 98.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 0.0 109.455 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.31 -34.03 76.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.477 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' ND1' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -79.26 -32.66 43.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.235 -0.916 . . . . 0.0 108.821 179.672 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -28.61 31.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.517 -0.739 . . . . 0.0 109.373 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -64.25 -19.41 65.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.269 -0.894 . . . . 0.0 109.235 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.89 2.69 64.34 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.515 ' CD2' ' CE1' ' A' ' 77' ' ' HIS . 0.3 OUTLIER -104.07 -28.91 11.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.245 -1.15 . . . . 0.0 109.541 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.495 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.08 156.72 37.83 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.339 -0.85 . . . . 0.0 109.467 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.13 -53.57 4.61 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.849 2.366 . . . . 0.0 112.157 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CD1' ' SD ' ' A' ' 74' ' ' MET . 1.3 m-85 -126.0 84.07 2.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 0.0 109.401 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -97.62 92.05 5.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.282 -0.886 . . . . 0.0 109.544 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.7 t -71.71 114.99 33.23 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.233 -0.917 . . . . 0.0 109.416 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.0 Cg_endo -78.87 -36.03 0.86 Allowed 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.694 2.263 . . . . 0.0 112.251 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.1 mt -43.86 -33.04 1.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.88 . . . . 0.0 109.513 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -125.63 -17.83 5.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.237 -0.915 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 79.94 72.47 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.326 -0.859 . . . . 0.0 109.255 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.89 158.6 43.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.89 . . . . 0.0 109.303 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.08 124.08 3.29 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.7 m -140.6 126.56 11.57 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.272 -1.134 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -73.82 -2.01 11.63 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.62 2.213 . . . . 0.0 112.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -113.92 137.28 51.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.258 -0.901 . . . . 0.0 109.274 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.444 ' HG ' ' CE2' ' A' ' 59' ' ' TYR . 1.9 tt -76.45 -37.67 56.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.0 109.456 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.79 -34.62 65.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.929 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.08 -48.65 67.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.332 -0.855 . . . . 0.0 109.397 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 59' ' ' TYR . 0.6 OUTLIER -68.47 -41.16 80.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 0.0 109.376 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -37.6 81.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.474 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -32.08 73.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.217 -0.927 . . . . 0.0 109.448 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.502 ' NE2' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -79.23 -28.7 42.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -0.905 . . . . 0.0 108.894 179.683 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mmm -54.3 -28.61 43.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.451 -0.781 . . . . 0.0 109.469 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -65.37 -7.11 12.17 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 109.334 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.39 -7.75 36.74 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CE1' ' NE2' ' A' ' 77' ' ' HIS . 1.4 m-70 -95.57 89.82 5.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -1.114 . . . . 0.0 109.417 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -101.03 165.8 13.55 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.48 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -45.1 -65.73 0.18 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.906 2.404 . . . . 0.0 112.393 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.719 ' HH ' ' CD1' ' A' ' 71' ' ' LEU . 87.9 m-85 -105.1 99.26 8.88 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.246 -0.909 . . . . 0.0 109.623 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' O ' ' HD3' ' A' ' 62' ' ' PRO . 8.8 tpt180 -110.78 90.74 3.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.448 ' SG ' HD12 ' A' ' 63' ' ' LEU . 41.9 t -87.96 112.21 47.69 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.327 -0.858 . . . . 0.0 109.688 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' LEU . 72.9 Cg_endo -82.27 -26.83 2.59 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.747 2.298 . . . . 0.0 112.001 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.448 HD12 ' SG ' ' A' ' 61' ' ' CYS . 10.6 mt -42.33 -39.94 2.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.841 . . . . 0.0 109.567 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.646 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -124.31 -11.45 7.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.237 -0.914 . . . . 0.0 109.343 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.646 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.8 OUTLIER 84.33 83.78 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.317 -0.864 . . . . 0.0 109.441 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.98 148.18 27.42 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.196 -0.94 . . . . 0.0 109.613 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.49 108.4 0.56 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 131.68 16.39 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.231 -1.158 . . . . 0.0 109.44 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.23 -4.58 15.67 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.632 2.221 . . . . 0.0 112.31 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.21 137.51 39.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.212 -0.93 . . . . 0.0 109.361 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.719 ' CD1' ' HH ' ' A' ' 59' ' ' TYR . 2.3 tt -83.65 -43.0 16.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.312 -0.868 . . . . 0.0 109.475 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.25 77.21 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.2 m -73.56 -33.61 64.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.171 -0.956 . . . . 0.0 109.521 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.648 ' SD ' ' O ' ' A' ' 74' ' ' MET . 7.5 tpp -77.37 -42.75 35.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.155 -0.966 . . . . 0.0 109.393 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -44.52 91.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.198 -0.939 . . . . 0.0 109.4 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.46 51.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.278 -0.889 . . . . 0.0 109.379 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.491 ' CE1' ' SG ' ' A' ' 64' ' ' CYS . 8.6 t60 -79.51 -30.08 41.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.267 -0.895 . . . . 0.0 108.703 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.3 mmm -75.06 -34.26 61.8 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.553 -0.717 . . . . 0.0 109.475 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -16.56 64.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -0.921 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -110.09 -3.43 29.72 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.69 -26.13 8.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.26 -1.141 . . . . 0.0 109.456 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.455 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.22 166.45 34.04 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.235 -0.916 . . . . 0.0 109.468 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -46.92 -69.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.863 2.376 . . . . 0.0 112.182 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -105.41 94.34 5.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 109.4 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.581 ' NH2' HH11 ' A' ' 65' ' ' ARG . 0.0 OUTLIER -106.41 90.67 3.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.322 -0.862 . . . . 0.0 109.515 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 115.02 43.1 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -78.19 -37.56 0.76 Allowed 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.599 2.199 . . . . 0.0 112.191 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mt -47.29 -22.8 0.45 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.649 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 19.2 p -124.04 -28.28 3.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 109.42 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER 85.12 59.3 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 0.0 109.403 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.28 154.75 42.69 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.256 -0.903 . . . . 0.0 109.527 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.71 128.87 5.3 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.1 t -139.57 128.73 13.81 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.168 -1.195 . . . . 0.0 109.532 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.48 -16.58 21.55 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.629 2.219 . . . . 0.0 112.189 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -105.98 137.07 44.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.179 -0.95 . . . . 0.0 109.373 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 1.5 tt -79.96 -33.68 39.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.323 -0.861 . . . . 0.0 109.395 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.15 -51.61 63.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.528 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.3 m -72.89 -33.2 65.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.894 . . . . 0.0 109.559 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -37.4 87.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.53 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -64.79 -31.86 73.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.73 78.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.262 -0.899 . . . . 0.0 109.46 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.431 ' CE1' ' ND1' ' A' ' 81' ' ' HIS . 0.9 OUTLIER -79.64 -35.27 39.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.201 -0.937 . . . . 0.0 108.63 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.0 mtp -64.28 -32.04 73.47 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.651 -0.656 . . . . 0.0 109.373 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -21.8 66.58 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.351 -0.843 . . . . 0.0 109.144 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.69 -13.15 65.49 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.431 ' ND1' ' CE1' ' A' ' 77' ' ' HIS . 2.4 p-80 -163.65 138.63 6.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -1.122 . . . . 0.0 109.536 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.508 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.64 163.06 24.89 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.186 -0.946 . . . . 0.0 109.519 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.1 -73.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.731 2.287 . . . . 0.0 112.186 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.13 90.86 4.52 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.169 -0.957 . . . . 0.0 109.496 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.97 91.41 5.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.288 -0.883 . . . . 0.0 109.383 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.5 t -81.19 115.38 55.9 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.176 -0.953 . . . . 0.0 109.571 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -78.76 -36.89 0.71 Allowed 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.702 2.268 . . . . 0.0 112.196 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 mp -46.91 -29.36 1.98 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.372 -0.83 . . . . 0.0 109.515 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.7 p -116.1 -28.01 6.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.612 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.93 71.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.325 -0.859 . . . . 0.0 109.219 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -165.26 150.62 9.35 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.293 -0.879 . . . . 0.0 109.452 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.14 118.99 3.97 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 126.69 24.99 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.247 -1.149 . . . . 0.0 109.327 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.71 -14.55 24.42 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.644 2.229 . . . . 0.0 112.29 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.49 137.14 45.01 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.184 -0.948 . . . . 0.0 109.294 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 1.9 tt -83.57 -33.72 25.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.329 -0.857 . . . . 0.0 109.452 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.55 -43.15 68.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.34 -0.85 . . . . 0.0 109.443 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.3 p -68.14 -54.05 20.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 109.406 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.9 ttp -60.11 -34.19 73.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.209 -0.932 . . . . 0.0 109.486 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -60.44 -34.78 74.47 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.161 -0.962 . . . . 0.0 109.519 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.0 -27.88 66.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.218 -0.926 . . . . 0.0 109.434 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.456 ' ND1' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -79.05 -28.61 43.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.213 -0.929 . . . . 0.0 108.917 179.792 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.456 ' N ' ' ND1' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -53.21 -28.64 27.97 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.445 -0.784 . . . . 0.0 109.334 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -66.07 -18.0 65.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.418 -0.801 . . . . 0.0 109.317 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.64 -18.92 26.45 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.531 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -80.33 50.78 1.31 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.283 -1.128 . . . . 0.0 109.385 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 81' ' ' HIS . 11.0 m . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.483 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -178.69 163.83 1.09 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.549 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -43.0 -41.48 9.1 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.062 2.508 . . . . 0.0 112.54 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -132.13 88.8 2.59 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.231 -0.918 . . . . 0.0 109.624 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -90.63 91.41 8.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.29 -0.881 . . . . 0.0 109.356 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.5 t -69.66 113.98 21.19 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.411 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -80.39 -35.3 0.63 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.19 -29.26 3.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.241 -0.912 . . . . 0.0 109.574 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.573 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -121.5 -21.45 6.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.897 . . . . 0.0 109.393 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.573 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 82.49 61.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.371 -0.831 . . . . 0.0 109.225 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.87 170.71 15.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.369 -0.832 . . . . 0.0 109.358 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.21 123.58 2.13 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.59 129.76 18.62 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.274 -1.133 . . . . 0.0 109.257 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -72.93 -1.36 10.36 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.581 2.187 . . . . 0.0 112.347 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.51 137.3 48.39 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.166 -0.959 . . . . 0.0 109.323 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.65 -42.27 16.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.0 109.483 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.21 -48.27 74.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.248 -0.907 . . . . 0.0 109.463 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -47.67 75.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.407 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.555 ' C ' ' SD ' ' A' ' 74' ' ' MET . 5.8 tmm? -67.73 -46.99 70.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.264 -0.898 . . . . 0.0 109.374 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -41.04 80.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 0.0 109.411 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.14 65.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.892 . . . . 0.0 109.526 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.729 ' CE1' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -78.96 -28.5 43.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.863 . . . . 0.0 108.827 179.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.9 mmm -60.57 -29.95 69.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.52 -0.737 . . . . 0.0 109.546 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.61 -16.76 62.87 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.223 -0.923 . . . . 0.0 109.413 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 82' ' ' SER . . . -118.65 1.3 15.68 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.529 -1.429 . . . . 0.0 109.529 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.729 ' CD2' ' CE1' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -41.58 96.3 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.263 -1.139 . . . . 0.0 109.496 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.5 t . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.485 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 57' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 56' ' ' ALA . . . -41.07 162.77 0.11 Allowed Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.218 -0.926 . . . . 0.0 109.381 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -42.96 -52.89 4.36 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.868 2.379 . . . . 0.0 112.259 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -125.86 80.83 1.94 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.236 -0.915 . . . . 0.0 109.391 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 60' ' ' ARG . 9.1 tmm_? -88.98 92.96 9.44 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.842 . . . . 0.0 109.395 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.2 t -77.36 114.04 36.83 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.886 . . . . 0.0 109.531 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 63' ' ' LEU . 71.6 Cg_endo -80.68 -33.52 0.88 Allowed 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.761 2.307 . . . . 0.0 112.223 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' A' ' 62' ' ' PRO . 20.2 mt -37.47 -39.5 0.31 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.0 109.705 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.645 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -128.33 -12.04 5.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.125 -0.984 . . . . 0.0 109.675 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.645 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 85.22 97.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.273 -0.892 . . . . 0.0 109.421 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -168.36 156.11 8.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.908 . . . . 0.0 109.46 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.43 97.88 0.32 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 3.7 m -104.0 119.46 54.26 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -1.141 . . . . 0.0 109.283 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.83 -16.35 18.47 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.505 2.137 . . . . 0.0 112.382 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.28 137.31 40.71 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.137 -0.977 . . . . 0.0 109.32 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' A' ' 71' ' ' LEU . 2.2 tt -70.91 -41.57 71.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 0.0 109.363 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.46 69.66 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.22 -0.925 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -68.97 -34.42 75.29 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.265 -0.897 . . . . 0.0 109.208 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.0 tpt -65.68 -50.18 65.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.242 -0.911 . . . . 0.0 109.404 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.55 -45.27 94.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.905 . . . . 0.0 109.331 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.47 -29.19 49.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.263 -0.898 . . . . 0.0 109.206 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.734 ' NE2' ' CD2' ' A' ' 81' ' ' HIS . 0.8 OUTLIER -79.09 -28.54 43.06 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.3 mmt -68.6 -28.5 66.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.571 -0.706 . . . . 0.0 109.39 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -30.1 71.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.265 -0.897 . . . . 0.0 108.974 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.38 -18.53 77.87 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.734 ' CD2' ' NE2' ' A' ' 77' ' ' HIS . 27.5 m-70 -84.83 -13.64 50.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.298 -1.119 . . . . 0.0 109.399 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.462 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.86 142.18 14.2 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.214 -0.929 . . . . 0.0 109.455 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -42.08 -66.85 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.832 2.355 . . . . 0.0 112.391 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -106.04 97.38 7.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.889 . . . . 0.0 109.713 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 90.58 3.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.358 -0.839 . . . . 0.0 109.256 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.438 ' SG ' HD11 ' A' ' 63' ' ' LEU . 39.4 t -82.18 114.06 48.23 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 0.0 109.572 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' LEU . 73.6 Cg_endo -80.92 -34.92 0.55 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.821 2.347 . . . . 0.0 112.304 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.438 HD11 ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -43.65 -33.88 1.32 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.334 -0.854 . . . . 0.0 109.736 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.647 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -117.73 -24.83 7.05 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.915 . . . . 0.0 109.507 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.647 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.2 tpp85 85.97 82.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.378 -0.826 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -173.53 148.7 1.58 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.235 -0.916 . . . . 0.0 109.458 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.16 121.73 4.0 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 m -134.34 129.73 19.83 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.237 -1.155 . . . . 0.0 109.365 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.78 -0.71 9.77 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.623 2.216 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m -107.71 137.55 45.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.18 -0.95 . . . . 0.0 109.325 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.475 ' O ' ' CD2' ' A' ' 71' ' ' LEU . 2.3 tt -78.38 -31.95 48.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 109.461 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.5 -52.89 58.14 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -0.912 . . . . 0.0 109.37 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -42.3 98.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.0 109.355 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -62.75 -45.21 93.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.871 . . . . 0.0 109.415 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -68.95 -41.63 77.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 0.0 109.402 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.91 69.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.221 -0.924 . . . . 0.0 109.5 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.749 ' NE2' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -79.48 -34.44 41.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 0.0 108.788 179.699 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.72 -28.73 67.58 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.58 -0.7 . . . . 0.0 109.565 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -66.64 -23.25 66.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 82' ' ' SER . . . -88.93 -10.55 66.51 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.749 ' CD2' ' NE2' ' A' ' 77' ' ' HIS . 1.8 m-70 -76.38 37.17 0.16 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.242 -1.152 . . . . 0.0 109.45 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.953 -1.023 . . . . 0.0 109.532 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -44.4 -65.07 0.21 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.778 2.319 . . . . 0.0 112.202 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.45 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -114.05 79.39 1.25 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 109.451 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.09 93.02 9.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.272 -0.892 . . . . 0.0 109.524 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.6 t -87.59 113.24 53.38 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 63' ' ' LEU . 60.3 Cg_endo -78.49 -36.12 0.99 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.619 2.213 . . . . 0.0 112.136 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -35.98 -35.21 0.06 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.294 -0.879 . . . . 0.0 109.512 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.65 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -120.86 -21.31 6.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.273 -0.892 . . . . 0.0 109.381 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.65 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 8.4 tpp180 86.59 82.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -176.65 151.08 0.89 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.239 -0.913 . . . . 0.0 109.449 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.13 133.51 7.16 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.3 t -137.51 136.61 20.57 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.222 -1.164 . . . . 0.0 109.37 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -73.05 -11.16 25.19 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 t -103.1 137.23 41.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.205 -0.935 . . . . 0.0 109.396 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.734 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.7 tt -83.7 -43.71 15.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.0 109.592 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -34.02 57.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.225 -0.922 . . . . 0.0 109.507 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.4 t -69.62 -55.17 10.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.89 . . . . 0.0 109.528 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -41.13 96.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 0.0 109.48 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.441 ' CD ' ' C ' ' A' ' 75' ' ' GLN . 19.4 tm0? -57.81 -40.29 79.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 109.415 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.43 69.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.317 -0.864 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -79.3 -29.07 42.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.303 -0.873 . . . . 0.0 108.919 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mmt -60.58 -28.66 68.65 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.508 -0.745 . . . . 0.0 109.513 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 79' ' ' ARG . 1.5 ttt85 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -44.15 -57.73 1.8 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.769 2.312 . . . . 0.0 112.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.96 96.91 6.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.875 . . . . 0.0 109.563 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.58 90.96 3.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.64 114.9 58.11 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.26 -0.9 . . . . 0.0 109.524 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.3 Cg_endo -78.89 -36.88 0.67 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.747 2.298 . . . . 0.0 112.201 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' PRO . 6.6 mt -39.79 -34.8 0.28 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.649 ' SG ' ' NE2' ' A' ' 77' ' ' HIS . 25.9 p -119.58 -21.89 7.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.948 . . . . 0.0 109.458 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.632 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 84.8 82.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.448 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -163.95 148.5 10.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.913 . . . . 0.0 109.416 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.95 112.76 0.92 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.26 134.89 20.3 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.299 -1.118 . . . . 0.0 109.372 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.45 -2.91 12.83 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.624 2.216 . . . . 0.0 112.228 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.8 p -110.28 137.36 48.12 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.232 -0.917 . . . . 0.0 109.28 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.81 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.5 tt -82.32 -40.42 21.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.84 . . . . 0.0 109.399 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.21 70.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.441 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.0 t -66.85 -34.08 77.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.21 -0.931 . . . . 0.0 109.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.555 ' SD ' ' C ' ' A' ' 74' ' ' MET . 9.7 tmm? -70.42 -38.53 74.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 109.466 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.642 ' CD ' ' NH1' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -56.14 -36.02 67.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 0.0 109.436 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.44 -28.33 66.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.923 . . . . 0.0 109.422 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.649 ' NE2' ' SG ' ' A' ' 64' ' ' CYS . 0.5 OUTLIER -79.17 -28.39 42.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.26 -0.9 . . . . 0.0 108.842 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mmm -73.65 -37.39 65.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.459 -0.775 . . . . 0.0 109.385 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.642 ' NH1' ' CD ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.272 -0.893 . . . . 0.0 109.278 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.88 -58.68 1.33 Allowed 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.745 2.297 . . . . 0.0 112.14 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -129.59 99.14 5.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 0.0 109.403 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -102.71 89.66 3.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.573 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.6 OUTLIER -69.83 122.13 84.94 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.281 -0.887 . . . . 0.0 109.432 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.565 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.2 Cg_endo -77.42 -40.3 0.45 Allowed 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.754 2.302 . . . . 0.0 112.327 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.565 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.2 mp -33.77 -41.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 0.0 109.433 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 16.2 p -124.65 -21.28 4.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.326 -0.858 . . . . 0.0 109.311 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.09 75.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.0 109.429 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.24 148.78 32.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.185 -0.947 . . . . 0.0 109.369 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.03 123.93 5.84 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 131.06 20.05 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.292 -1.122 . . . . 0.0 109.309 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.13 -26.17 18.32 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.665 2.243 . . . . 0.0 112.298 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -95.24 137.19 34.62 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.131 -0.98 . . . . 0.0 109.328 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.725 ' O ' HD23 ' A' ' 71' ' ' LEU . 3.5 tt -78.64 -37.27 42.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.246 -0.909 . . . . 0.0 109.465 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.64 -42.54 67.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.331 -0.855 . . . . 0.0 109.411 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 m -66.07 -50.43 64.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.214 -0.928 . . . . 0.0 109.445 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.63 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -57.76 -45.54 85.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 109.4 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -65.26 -51.29 61.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 109.369 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.23 61.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.258 -0.901 . . . . 0.0 109.351 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.31 -29.57 42.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.926 . . . . 0.0 108.678 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -28.77 66.86 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.505 -0.747 . . . . 0.0 109.402 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.248 -0.908 . . . . 0.0 109.299 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 72.2 Cg_exo -44.28 -37.78 10.58 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.923 2.416 . . . . 0.0 112.207 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.435 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 43.1 m-85 -137.36 93.52 2.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.211 -0.931 . . . . 0.0 109.53 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -105.71 91.19 3.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 109.503 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.734 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 27.0 t -80.87 115.12 53.67 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.299 -0.876 . . . . 0.0 109.39 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -78.69 -31.18 2.63 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.673 2.249 . . . . 0.0 112.285 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.35 -21.28 1.35 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -0.882 . . . . 0.0 109.514 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.734 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -125.75 -27.1 3.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.542 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.664 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER 87.23 54.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 109.41 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.06 150.21 35.54 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.221 -0.924 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.45 114.8 1.5 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.7 m -120.88 129.95 25.07 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.207 -1.172 . . . . 0.0 109.434 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -73.86 -4.3 15.19 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.625 2.216 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -110.94 137.28 48.77 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.187 -0.946 . . . . 0.0 109.304 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.918 ' O ' HD23 ' A' ' 71' ' ' LEU . 5.6 tt -72.91 -30.79 64.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.363 -0.836 . . . . 0.0 109.433 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -50.83 69.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.328 -0.858 . . . . 0.0 109.366 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.2 -37.82 72.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.239 -0.913 . . . . 0.0 109.434 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 59' ' ' TYR . 44.6 ttp -76.83 -39.78 50.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 109.407 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -31.92 63.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.216 -0.927 . . . . 0.0 109.433 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.73 -27.8 64.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 0.0 109.459 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.615 ' ND1' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -79.24 -32.43 43.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.282 -0.886 . . . . 0.0 108.869 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.537 ' N ' ' HD1' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -61.39 -34.66 75.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.557 -0.714 . . . . 0.0 109.437 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.2 -0.938 . . . . 0.0 109.163 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 56.2 Cg_exo -46.16 -51.53 8.45 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.715 2.277 . . . . 0.0 112.202 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -126.95 84.02 2.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -0.909 . . . . 0.0 109.548 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -100.79 93.06 5.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -0.849 . . . . 0.0 109.391 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 t -84.32 118.76 71.97 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.591 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.1 Cg_endo -78.07 -35.06 1.44 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.73 2.287 . . . . 0.0 112.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' PRO . 3.0 mt -40.81 -32.49 0.22 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.315 -0.866 . . . . 0.0 109.554 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.638 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.6 p -118.46 -25.19 6.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.0 109.439 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.638 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 86.02 65.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 0.0 109.331 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.84 159.24 32.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.369 -0.832 . . . . 0.0 109.55 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.72 139.18 9.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 m -143.12 130.19 10.75 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.218 -1.166 . . . . 0.0 109.391 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.06 -4.27 15.13 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.627 2.218 . . . . 0.0 112.24 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -108.9 137.38 46.91 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.228 -0.92 . . . . 0.0 109.424 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.819 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.9 tt -82.69 -37.11 25.24 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.281 -0.887 . . . . 0.0 109.462 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.9 -43.18 77.01 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.389 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.5 t -73.21 -40.08 65.02 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.178 -0.951 . . . . 0.0 109.407 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -28.56 64.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.298 -0.876 . . . . 0.0 109.502 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -67.27 -43.25 82.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.215 -0.928 . . . . 0.0 109.462 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.64 69.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.882 . . . . 0.0 109.417 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -35.92 41.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 108.786 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.14 -29.27 63.46 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.523 -0.736 . . . . 0.0 109.366 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.306 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 72.8 Cg_exo -44.1 -54.59 3.74 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.9 2.4 . . . . 0.0 112.175 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 45.4 m-85 -129.87 86.65 2.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.148 -0.97 . . . . 0.0 109.499 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.477 HH12 ' HD2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -99.76 92.44 5.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 109.462 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -78.95 115.53 53.03 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.898 . . . . 0.0 109.406 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.3 Cg_endo -78.5 -30.36 3.22 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.676 2.251 . . . . 0.0 112.267 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 62' ' ' PRO . 37.2 mt -40.69 -39.94 1.19 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.254 -0.903 . . . . 0.0 109.645 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.622 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -125.16 -15.87 6.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.476 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.622 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 5.8 tpt180 84.97 84.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 0.0 109.454 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.36 156.43 32.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.497 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.94 125.34 3.7 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 p -132.21 128.27 21.23 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.283 -1.128 . . . . 0.0 109.445 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.32 -19.84 19.22 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.538 2.159 . . . . 0.0 112.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -100.05 137.22 38.8 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.227 -0.921 . . . . 0.0 109.311 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.837 ' O ' HD23 ' A' ' 71' ' ' LEU . 4.4 tt -68.9 -35.72 77.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.457 -0.777 . . . . 0.0 109.442 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.87 -44.87 70.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.27 -0.894 . . . . 0.0 109.374 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.1 m -64.32 -44.69 90.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.351 -0.843 . . . . 0.0 109.301 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.55 ' SD ' ' C ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -55.38 -52.89 62.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.313 -0.867 . . . . 0.0 109.399 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -61.36 -46.57 89.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.305 -0.872 . . . . 0.0 109.284 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.59 -26.38 43.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.313 -0.867 . . . . 0.0 109.321 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.476 ' NE2' ' SG ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -78.96 -28.37 43.65 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.286 -0.884 . . . . 0.0 108.802 179.78 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.5 mmm -73.31 -30.4 63.36 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.54 -0.725 . . . . 0.0 109.504 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.931 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -42.22 -30.31 1.35 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 17.7 m-85 -149.38 84.12 1.43 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.279 -0.888 . . . . 0.0 109.537 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 13.0 tpp180 -104.96 88.06 2.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.274 -0.891 . . . . 0.0 109.417 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -78.18 115.05 47.71 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.56 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -79.09 -27.54 4.43 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.686 2.257 . . . . 0.0 112.235 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 63' ' ' LEU . 14.8 tp -46.36 -35.44 5.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.244 -0.91 . . . . 0.0 109.434 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.9 p -123.68 -17.14 6.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.423 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.632 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.74 80.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 109.398 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.32 148.94 23.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 109.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.29 121.5 2.2 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 m -139.43 132.68 15.57 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.242 -1.152 . . . . 0.0 109.48 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -72.98 -18.8 23.89 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.671 2.247 . . . . 0.0 112.294 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.67 137.42 34.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.156 -0.965 . . . . 0.0 109.434 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.604 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -79.12 -46.77 17.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.888 . . . . 0.0 109.431 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.77 -38.43 64.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 t -72.06 -37.72 69.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.263 -0.898 . . . . 0.0 109.347 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.537 ' O ' ' SD ' ' A' ' 74' ' ' MET . 4.4 tpp -71.26 -40.41 70.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.334 -0.854 . . . . 0.0 109.447 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.69 -35.8 75.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 0.0 109.412 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.95 -30.33 46.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.315 -0.865 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -79.03 -35.76 42.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.278 -0.889 . . . . 0.0 108.857 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -28.42 39.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.541 -0.725 . . . . 0.0 109.35 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 N--CA 1.489 1.49 0 O-C-N 121.231 -0.918 . . . . 0.0 109.146 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 55.3 Cg_exo -46.65 -55.89 3.43 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.816 2.344 . . . . 0.0 112.156 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 54.8 m-85 -124.13 97.15 5.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.0 109.421 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 90.34 3.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.548 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 28.4 p -80.57 115.09 52.9 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.889 . . . . 0.0 109.467 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -78.89 -26.66 5.28 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.718 2.279 . . . . 0.0 112.318 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 mp -46.0 -38.07 7.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.355 -0.84 . . . . 0.0 109.495 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 14.0 p -121.6 -18.19 7.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 109.466 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.625 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 84.37 68.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.885 . . . . 0.0 109.454 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.43 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -144.36 148.87 35.27 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.2 -0.938 . . . . 0.0 109.454 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.58 127.43 4.29 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.7 t -142.24 129.52 11.3 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.311 -1.111 . . . . 0.0 109.371 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.63 -3.48 13.8 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.99 137.56 40.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.145 -0.972 . . . . 0.0 109.53 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.72 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.5 tt -83.69 -42.19 16.9 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -0.886 . . . . 0.0 109.465 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.15 -57.31 12.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 109.567 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 t -55.55 -43.85 76.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.163 -0.961 . . . . 0.0 109.433 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.605 ' O ' ' SD ' ' A' ' 74' ' ' MET . 3.1 tpp -69.1 -35.95 77.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.71 -42.02 98.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 0.0 109.455 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.31 -34.03 76.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.477 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' ND1' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -79.26 -32.66 43.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.235 -0.916 . . . . 0.0 108.821 179.672 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -28.61 31.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.517 -0.739 . . . . 0.0 109.373 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.269 -0.894 . . . . 0.0 109.235 179.853 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.13 -53.57 4.61 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.849 2.366 . . . . 0.0 112.157 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CD1' ' SD ' ' A' ' 74' ' ' MET . 1.3 m-85 -126.0 84.07 2.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 0.0 109.401 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -97.62 92.05 5.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.282 -0.886 . . . . 0.0 109.544 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 9.7 t -71.71 114.99 33.23 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.233 -0.917 . . . . 0.0 109.416 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.0 Cg_endo -78.87 -36.03 0.86 Allowed 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.694 2.263 . . . . 0.0 112.251 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.1 mt -43.86 -33.04 1.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.88 . . . . 0.0 109.513 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -125.63 -17.83 5.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.237 -0.915 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 79.94 72.47 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.326 -0.859 . . . . 0.0 109.255 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.89 158.6 43.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.89 . . . . 0.0 109.303 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.08 124.08 3.29 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.7 m -140.6 126.56 11.57 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.272 -1.134 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -73.82 -2.01 11.63 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.62 2.213 . . . . 0.0 112.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -113.92 137.28 51.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.258 -0.901 . . . . 0.0 109.274 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.679 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.9 tt -76.45 -37.67 56.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.0 109.456 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.79 -34.62 65.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.929 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.08 -48.65 67.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.332 -0.855 . . . . 0.0 109.397 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 59' ' ' TYR . 0.6 OUTLIER -68.47 -41.16 80.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 0.0 109.376 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -37.6 81.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.474 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -32.08 73.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.217 -0.927 . . . . 0.0 109.448 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -28.7 42.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -0.905 . . . . 0.0 108.894 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mmm -54.3 -28.61 43.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.451 -0.781 . . . . 0.0 109.469 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 109.334 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 76.5 Cg_exo -45.1 -65.73 0.18 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.906 2.404 . . . . 0.0 112.393 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.617 ' OH ' HD12 ' A' ' 71' ' ' LEU . 87.9 m-85 -105.1 99.26 8.88 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.246 -0.909 . . . . 0.0 109.623 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.416 ' O ' ' HD3' ' A' ' 62' ' ' PRO . 8.8 tpt180 -110.78 90.74 3.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 63' ' ' LEU . 41.9 t -87.96 112.21 47.69 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.327 -0.858 . . . . 0.0 109.688 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' LEU . 72.9 Cg_endo -82.27 -26.83 2.59 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.747 2.298 . . . . 0.0 112.001 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 10.6 mt -42.33 -39.94 2.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.841 . . . . 0.0 109.567 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.755 ' SG ' ' NE2' ' A' ' 77' ' ' HIS . 0.8 OUTLIER -124.31 -11.45 7.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.237 -0.914 . . . . 0.0 109.343 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.646 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.8 OUTLIER 84.33 83.78 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.317 -0.864 . . . . 0.0 109.441 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.98 148.18 27.42 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.196 -0.94 . . . . 0.0 109.613 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.49 108.4 0.56 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 131.68 16.39 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.231 -1.158 . . . . 0.0 109.44 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.23 -4.58 15.67 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.632 2.221 . . . . 0.0 112.31 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.21 137.51 39.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.212 -0.93 . . . . 0.0 109.361 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.617 HD12 ' OH ' ' A' ' 59' ' ' TYR . 2.3 tt -83.65 -43.0 16.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.312 -0.868 . . . . 0.0 109.475 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.25 77.21 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.2 m -73.56 -33.61 64.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.171 -0.956 . . . . 0.0 109.521 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.648 ' O ' ' SD ' ' A' ' 74' ' ' MET . 7.5 tpp -77.37 -42.75 35.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.155 -0.966 . . . . 0.0 109.393 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -44.52 91.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.198 -0.939 . . . . 0.0 109.4 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.46 51.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.278 -0.889 . . . . 0.0 109.379 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.755 ' NE2' ' SG ' ' A' ' 64' ' ' CYS . 8.6 t60 -79.51 -30.08 41.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.267 -0.895 . . . . 0.0 108.703 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.3 mmm -75.06 -34.26 61.8 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.553 -0.717 . . . . 0.0 109.475 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.226 -0.921 . . . . 0.0 109.346 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.617 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.617 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 60.7 Cg_exo -46.92 -69.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.863 2.376 . . . . 0.0 112.182 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -105.41 94.34 5.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 109.4 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.598 ' NH2' HH11 ' A' ' 65' ' ' ARG . 0.0 OUTLIER -106.41 90.67 3.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.322 -0.862 . . . . 0.0 109.515 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -76.12 115.02 43.1 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -78.19 -37.56 0.76 Allowed 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.599 2.199 . . . . 0.0 112.191 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mt -47.29 -22.8 0.45 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.649 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 19.2 p -124.04 -28.28 3.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 109.42 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER 85.12 59.3 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 0.0 109.403 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.28 154.75 42.69 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.256 -0.903 . . . . 0.0 109.527 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.71 128.87 5.3 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.1 t -139.57 128.73 13.81 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.168 -1.195 . . . . 0.0 109.532 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.48 -16.58 21.55 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.629 2.219 . . . . 0.0 112.189 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -105.98 137.07 44.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.179 -0.95 . . . . 0.0 109.373 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.5 tt -79.96 -33.68 39.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.323 -0.861 . . . . 0.0 109.395 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.15 -51.61 63.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.528 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.3 m -72.89 -33.2 65.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.894 . . . . 0.0 109.559 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -37.4 87.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.53 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -64.79 -31.86 73.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.73 78.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.262 -0.899 . . . . 0.0 109.46 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.643 ' NE2' ' SG ' ' A' ' 64' ' ' CYS . 0.9 OUTLIER -79.64 -35.27 39.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.201 -0.937 . . . . 0.0 108.63 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.0 mtp -64.28 -32.04 73.47 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.651 -0.656 . . . . 0.0 109.373 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.351 -0.843 . . . . 0.0 109.144 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.503 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 54.1 Cg_exo -47.1 -73.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.731 2.287 . . . . 0.0 112.186 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.13 90.86 4.52 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.169 -0.957 . . . . 0.0 109.496 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.97 91.41 5.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.288 -0.883 . . . . 0.0 109.383 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 43.5 t -81.19 115.38 55.9 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.176 -0.953 . . . . 0.0 109.571 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -78.76 -36.89 0.71 Allowed 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.702 2.268 . . . . 0.0 112.196 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 mp -46.91 -29.36 1.98 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.372 -0.83 . . . . 0.0 109.515 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.7 p -116.1 -28.01 6.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.612 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.93 71.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.325 -0.859 . . . . 0.0 109.219 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -165.26 150.62 9.35 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.293 -0.879 . . . . 0.0 109.452 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.14 118.99 3.97 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 126.69 24.99 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.247 -1.149 . . . . 0.0 109.327 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.71 -14.55 24.42 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.644 2.229 . . . . 0.0 112.29 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.49 137.14 45.01 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.184 -0.948 . . . . 0.0 109.294 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.819 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.9 tt -83.57 -33.72 25.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.329 -0.857 . . . . 0.0 109.452 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.55 -43.15 68.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.34 -0.85 . . . . 0.0 109.443 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.3 p -68.14 -54.05 20.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 109.406 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.9 ttp -60.11 -34.19 73.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.209 -0.932 . . . . 0.0 109.486 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -60.44 -34.78 74.47 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.161 -0.962 . . . . 0.0 109.519 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.0 -27.88 66.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.218 -0.926 . . . . 0.0 109.434 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.456 ' ND1' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -79.05 -28.61 43.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.213 -0.929 . . . . 0.0 108.917 179.792 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.456 ' N ' ' ND1' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -53.21 -28.64 27.97 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.445 -0.784 . . . . 0.0 109.334 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.418 -0.801 . . . . 0.0 109.317 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 85.6 Cg_exo -43.0 -41.48 9.1 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.062 2.508 . . . . 0.0 112.54 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -132.13 88.8 2.59 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.231 -0.918 . . . . 0.0 109.624 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -90.63 91.41 8.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.29 -0.881 . . . . 0.0 109.356 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.697 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 53.5 t -69.66 113.98 21.19 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.411 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -80.39 -35.3 0.63 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.19 -29.26 3.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.241 -0.912 . . . . 0.0 109.574 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.697 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -121.5 -21.45 6.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.897 . . . . 0.0 109.393 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.573 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 82.49 61.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.371 -0.831 . . . . 0.0 109.225 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.87 170.71 15.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.369 -0.832 . . . . 0.0 109.358 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.21 123.58 2.13 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.59 129.76 18.62 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.274 -1.133 . . . . 0.0 109.257 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -72.93 -1.36 10.36 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.581 2.187 . . . . 0.0 112.347 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.51 137.3 48.39 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.166 -0.959 . . . . 0.0 109.323 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -83.65 -42.27 16.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.0 109.483 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.21 -48.27 74.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.248 -0.907 . . . . 0.0 109.463 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -47.67 75.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.407 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.555 ' SD ' ' C ' ' A' ' 74' ' ' MET . 5.8 tmm? -67.73 -46.99 70.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.264 -0.898 . . . . 0.0 109.374 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -41.04 80.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 0.0 109.411 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.14 65.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.892 . . . . 0.0 109.526 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -28.5 43.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.863 . . . . 0.0 108.827 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.9 mmm -60.57 -29.95 69.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.52 -0.737 . . . . 0.0 109.546 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.223 -0.923 . . . . 0.0 109.413 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 87.3 Cg_exo -42.96 -52.89 4.36 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.868 2.379 . . . . 0.0 112.259 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 53.6 m-85 -125.86 80.83 1.94 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.236 -0.915 . . . . 0.0 109.391 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.419 ' HD2' HH11 ' A' ' 60' ' ' ARG . 9.1 tmm_? -88.98 92.96 9.44 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.842 . . . . 0.0 109.395 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.2 t -77.36 114.04 36.83 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.886 . . . . 0.0 109.531 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 63' ' ' LEU . 71.6 Cg_endo -80.68 -33.52 0.88 Allowed 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.761 2.307 . . . . 0.0 112.223 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' A' ' 62' ' ' PRO . 20.2 mt -37.47 -39.5 0.31 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.0 109.705 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.645 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -128.33 -12.04 5.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.125 -0.984 . . . . 0.0 109.675 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.645 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 85.22 97.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.273 -0.892 . . . . 0.0 109.421 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -168.36 156.11 8.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.908 . . . . 0.0 109.46 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.43 97.88 0.32 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 59' ' ' TYR . 3.7 m -104.0 119.46 54.26 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -1.141 . . . . 0.0 109.283 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.83 -16.35 18.47 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.505 2.137 . . . . 0.0 112.382 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.28 137.31 40.71 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.137 -0.977 . . . . 0.0 109.32 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.763 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.2 tt -70.91 -41.57 71.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 0.0 109.363 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.46 69.66 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.22 -0.925 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -68.97 -34.42 75.29 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.265 -0.897 . . . . 0.0 109.208 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.0 tpt -65.68 -50.18 65.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.242 -0.911 . . . . 0.0 109.404 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.55 -45.27 94.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.905 . . . . 0.0 109.331 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.47 -29.19 49.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.263 -0.898 . . . . 0.0 109.206 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -79.09 -28.54 43.06 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.3 mmt -68.6 -28.5 66.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.571 -0.706 . . . . 0.0 109.39 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 O-C-N 121.265 -0.897 . . . . 0.0 108.974 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -42.08 -66.85 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.832 2.355 . . . . 0.0 112.391 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -106.04 97.38 7.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.889 . . . . 0.0 109.713 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 90.58 3.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.358 -0.839 . . . . 0.0 109.256 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' A' ' 63' ' ' LEU . 39.4 t -82.18 114.06 48.23 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 0.0 109.572 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' LEU . 73.6 Cg_endo -80.92 -34.92 0.55 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.821 2.347 . . . . 0.0 112.304 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.634 HD12 ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -43.65 -33.88 1.32 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.334 -0.854 . . . . 0.0 109.736 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.647 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -117.73 -24.83 7.05 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.915 . . . . 0.0 109.507 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.647 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.2 tpp85 85.97 82.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.378 -0.826 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -173.53 148.7 1.58 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.235 -0.916 . . . . 0.0 109.458 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.16 121.73 4.0 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 m -134.34 129.73 19.83 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.237 -1.155 . . . . 0.0 109.365 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.78 -0.71 9.77 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.623 2.216 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m -107.71 137.55 45.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.18 -0.95 . . . . 0.0 109.325 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.85 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.3 tt -78.38 -31.95 48.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 109.461 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.5 -52.89 58.14 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -0.912 . . . . 0.0 109.37 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -42.3 98.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.0 109.355 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -62.75 -45.21 93.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.871 . . . . 0.0 109.415 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -68.95 -41.63 77.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 0.0 109.402 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.91 69.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.221 -0.924 . . . . 0.0 109.5 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.48 -34.44 41.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 0.0 108.788 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.72 -28.73 67.58 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.58 -0.7 . . . . 0.0 109.565 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.349 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.67 156.82 90.09 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.206 -0.934 . . . . 0.0 109.482 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -44.4 -65.07 0.21 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.778 2.319 . . . . 0.0 112.202 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.45 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -114.05 79.39 1.25 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 109.451 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.09 93.02 9.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.272 -0.892 . . . . 0.0 109.524 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.6 t -87.59 113.24 53.38 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 63' ' ' LEU . 60.3 Cg_endo -78.49 -36.12 0.99 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.619 2.213 . . . . 0.0 112.136 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -35.98 -35.21 0.06 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.294 -0.879 . . . . 0.0 109.512 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.65 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -120.86 -21.31 6.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.273 -0.892 . . . . 0.0 109.381 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.65 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 8.4 tpp180 86.59 82.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -176.65 151.08 0.89 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.239 -0.913 . . . . 0.0 109.449 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.13 133.51 7.16 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.3 t -137.51 136.61 20.57 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.222 -1.164 . . . . 0.0 109.37 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -73.05 -11.16 25.19 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 t -103.1 137.23 41.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.205 -0.935 . . . . 0.0 109.396 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.734 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.7 tt -83.7 -43.71 15.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.0 109.592 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -34.02 57.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.225 -0.922 . . . . 0.0 109.507 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.4 t -69.62 -55.17 10.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.89 . . . . 0.0 109.528 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -41.13 96.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 0.0 109.48 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.441 ' CD ' ' C ' ' A' ' 75' ' ' GLN . 19.4 tm0? -57.81 -40.29 79.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 109.415 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.43 69.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.317 -0.864 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.663 ' NE2' ' CD2' ' A' ' 81' ' ' HIS . 0.9 OUTLIER -79.3 -29.07 42.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.303 -0.873 . . . . 0.0 108.919 179.79 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mmt -60.58 -28.66 68.65 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.508 -0.745 . . . . 0.0 109.513 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 79' ' ' ARG . 1.5 ttt85 -67.03 -18.87 65.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 82' ' ' SER . . . -96.89 -15.91 37.79 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.663 ' CD2' ' NE2' ' A' ' 77' ' ' HIS . 0.3 OUTLIER -63.98 79.39 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.243 -1.151 . . . . 0.0 109.556 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.545 ' O ' ' OG ' ' A' ' 82' ' ' SER . 8.3 p . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.449 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.51 154.08 38.1 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.883 . . . . 0.0 109.499 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -44.15 -57.73 1.8 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.769 2.312 . . . . 0.0 112.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.96 96.91 6.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.875 . . . . 0.0 109.563 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.58 90.96 3.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.64 114.9 58.11 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.26 -0.9 . . . . 0.0 109.524 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.3 Cg_endo -78.89 -36.88 0.67 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.747 2.298 . . . . 0.0 112.201 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' PRO . 6.6 mt -39.79 -34.8 0.28 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 25.9 p -119.58 -21.89 7.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.948 . . . . 0.0 109.458 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.632 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 84.8 82.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.448 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -163.95 148.5 10.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.913 . . . . 0.0 109.416 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.95 112.76 0.92 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.26 134.89 20.3 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.299 -1.118 . . . . 0.0 109.372 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.45 -2.91 12.83 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.624 2.216 . . . . 0.0 112.228 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.8 p -110.28 137.36 48.12 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.232 -0.917 . . . . 0.0 109.28 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.81 ' O ' HD23 ' A' ' 71' ' ' LEU . 6.5 tt -82.32 -40.42 21.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.84 . . . . 0.0 109.399 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.21 70.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.441 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.0 t -66.85 -34.08 77.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.21 -0.931 . . . . 0.0 109.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.555 ' SD ' ' C ' ' A' ' 74' ' ' MET . 9.7 tmm? -70.42 -38.53 74.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 109.466 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.642 ' CD ' ' NH1' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -56.14 -36.02 67.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 0.0 109.436 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.44 -28.33 66.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.923 . . . . 0.0 109.422 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.594 ' CE1' ' CD2' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -79.17 -28.39 42.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.26 -0.9 . . . . 0.0 108.842 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mmm -73.65 -37.39 65.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.459 -0.775 . . . . 0.0 109.385 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.642 ' NH1' ' CD ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -67.41 -10.71 53.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.272 -0.893 . . . . 0.0 109.278 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -110.58 -5.44 27.8 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.594 ' CD2' ' CE1' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -61.04 104.71 0.4 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.3 -1.118 . . . . 0.0 109.426 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.416 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -167.7 154.59 7.77 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.347 -0.846 . . . . 0.0 109.402 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.88 -58.68 1.33 Allowed 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.745 2.297 . . . . 0.0 112.14 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -129.59 99.14 5.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 0.0 109.403 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -102.71 89.66 3.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.573 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -69.83 122.13 84.94 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.281 -0.887 . . . . 0.0 109.432 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.565 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.2 Cg_endo -77.42 -40.3 0.45 Allowed 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.754 2.302 . . . . 0.0 112.327 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.565 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.2 mp -33.77 -41.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 0.0 109.433 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 16.2 p -124.65 -21.28 4.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.326 -0.858 . . . . 0.0 109.311 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.09 75.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.0 109.429 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.24 148.78 32.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.185 -0.947 . . . . 0.0 109.369 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.03 123.93 5.84 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 131.06 20.05 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.292 -1.122 . . . . 0.0 109.309 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.13 -26.17 18.32 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.665 2.243 . . . . 0.0 112.298 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -95.24 137.19 34.62 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.131 -0.98 . . . . 0.0 109.328 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.725 ' O ' HD23 ' A' ' 71' ' ' LEU . 3.5 tt -78.64 -37.27 42.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.246 -0.909 . . . . 0.0 109.465 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.64 -42.54 67.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.331 -0.855 . . . . 0.0 109.411 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 m -66.07 -50.43 64.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.214 -0.928 . . . . 0.0 109.445 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.63 ' O ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -57.76 -45.54 85.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 109.4 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -65.26 -51.29 61.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 109.369 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.23 61.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.258 -0.901 . . . . 0.0 109.351 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.31 -29.57 42.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.926 . . . . 0.0 108.678 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -28.77 66.86 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.505 -0.747 . . . . 0.0 109.402 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -68.59 -15.52 63.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.248 -0.908 . . . . 0.0 109.299 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.92 10.8 9.5 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -22.7 7.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.283 -1.127 . . . . 0.0 109.441 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.477 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -111.59 164.31 15.37 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.237 -0.914 . . . . 0.0 109.493 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 72.2 Cg_exo -44.28 -37.78 10.58 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.923 2.416 . . . . 0.0 112.207 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.435 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 43.1 m-85 -137.36 93.52 2.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.211 -0.931 . . . . 0.0 109.53 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' CD ' ' C ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -105.71 91.19 3.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 109.503 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.0 t -80.87 115.12 53.67 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.299 -0.876 . . . . 0.0 109.39 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -78.69 -31.18 2.63 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.673 2.249 . . . . 0.0 112.285 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.35 -21.28 1.35 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -0.882 . . . . 0.0 109.514 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.664 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -125.75 -27.1 3.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.542 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.664 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER 87.23 54.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 109.41 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.06 150.21 35.54 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.221 -0.924 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.45 114.8 1.5 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.7 m -120.88 129.95 25.07 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.207 -1.172 . . . . 0.0 109.434 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -73.86 -4.3 15.19 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.625 2.216 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -110.94 137.28 48.77 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.187 -0.946 . . . . 0.0 109.304 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.918 ' O ' HD23 ' A' ' 71' ' ' LEU . 5.6 tt -72.91 -30.79 64.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.363 -0.836 . . . . 0.0 109.433 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -50.83 69.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.328 -0.858 . . . . 0.0 109.366 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.2 -37.82 72.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.239 -0.913 . . . . 0.0 109.434 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 59' ' ' TYR . 44.6 ttp -76.83 -39.78 50.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 109.407 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -31.92 63.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.216 -0.927 . . . . 0.0 109.433 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.73 -27.8 64.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 0.0 109.459 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.777 ' NE2' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -79.24 -32.43 43.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.282 -0.886 . . . . 0.0 108.869 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.537 ' N ' ' HD1' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -61.39 -34.66 75.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.557 -0.714 . . . . 0.0 109.437 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -22.83 66.13 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.2 -0.938 . . . . 0.0 109.163 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.71 -13.56 56.59 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.777 ' CE1' ' NE2' ' A' ' 77' ' ' HIS . 1.2 m80 -96.48 167.86 10.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -1.137 . . . . 0.0 109.413 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.442 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -119.56 162.09 34.25 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.188 -0.945 . . . . 0.0 109.476 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 56.2 Cg_exo -46.16 -51.53 8.45 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.715 2.277 . . . . 0.0 112.202 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -126.95 84.02 2.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -0.909 . . . . 0.0 109.548 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -100.79 93.06 5.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -0.849 . . . . 0.0 109.391 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 t -84.32 118.76 71.97 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.591 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.1 Cg_endo -78.07 -35.06 1.44 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.73 2.287 . . . . 0.0 112.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' PRO . 3.0 mt -40.81 -32.49 0.22 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.315 -0.866 . . . . 0.0 109.554 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.638 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.6 p -118.46 -25.19 6.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.0 109.439 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.638 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 86.02 65.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 0.0 109.331 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.84 159.24 32.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.369 -0.832 . . . . 0.0 109.55 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.72 139.18 9.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 m -143.12 130.19 10.75 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.218 -1.166 . . . . 0.0 109.391 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.06 -4.27 15.13 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.627 2.218 . . . . 0.0 112.24 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -108.9 137.38 46.91 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.228 -0.92 . . . . 0.0 109.424 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.819 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.9 tt -82.69 -37.11 25.24 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.281 -0.887 . . . . 0.0 109.462 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.9 -43.18 77.01 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.389 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.5 t -73.21 -40.08 65.02 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.178 -0.951 . . . . 0.0 109.407 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -28.56 64.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.298 -0.876 . . . . 0.0 109.502 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -67.27 -43.25 82.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.215 -0.928 . . . . 0.0 109.462 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.64 69.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.882 . . . . 0.0 109.417 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -35.92 41.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 108.786 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.14 -29.27 63.46 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.523 -0.736 . . . . 0.0 109.366 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -6.36 16.05 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.306 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -104.71 -10.64 32.51 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -110.12 4.27 20.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.309 -1.113 . . . . 0.0 109.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.501 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -100.49 158.87 31.12 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.254 -0.904 . . . . 0.0 109.444 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 72.8 Cg_exo -44.1 -54.59 3.74 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.9 2.4 . . . . 0.0 112.175 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 45.4 m-85 -129.87 86.65 2.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.148 -0.97 . . . . 0.0 109.499 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.477 HH12 ' HD2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -99.76 92.44 5.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 109.462 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.95 115.53 53.03 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.898 . . . . 0.0 109.406 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.3 Cg_endo -78.5 -30.36 3.22 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.676 2.251 . . . . 0.0 112.267 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 62' ' ' PRO . 37.2 mt -40.69 -39.94 1.19 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.254 -0.903 . . . . 0.0 109.645 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.622 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -125.16 -15.87 6.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.476 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.622 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 5.8 tpt180 84.97 84.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 0.0 109.454 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.36 156.43 32.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.497 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.94 125.34 3.7 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 p -132.21 128.27 21.23 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.283 -1.128 . . . . 0.0 109.445 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.32 -19.84 19.22 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.538 2.159 . . . . 0.0 112.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -100.05 137.22 38.8 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.227 -0.921 . . . . 0.0 109.311 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.837 ' O ' HD23 ' A' ' 71' ' ' LEU . 4.4 tt -68.9 -35.72 77.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.457 -0.777 . . . . 0.0 109.442 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.87 -44.87 70.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.27 -0.894 . . . . 0.0 109.374 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.1 m -64.32 -44.69 90.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.351 -0.843 . . . . 0.0 109.301 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.55 ' SD ' ' C ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -55.38 -52.89 62.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.313 -0.867 . . . . 0.0 109.399 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -61.36 -46.57 89.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.305 -0.872 . . . . 0.0 109.284 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.59 -26.38 43.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.313 -0.867 . . . . 0.0 109.321 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.421 ' ND1' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -78.96 -28.37 43.65 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.286 -0.884 . . . . 0.0 108.802 179.78 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.5 mmm -73.31 -30.4 63.36 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.54 -0.725 . . . . 0.0 109.504 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -17.86 64.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.931 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.78 -2.59 55.2 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.475 ' O ' ' OG ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -97.16 -18.59 19.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.355 -1.085 . . . . 0.0 109.504 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 81' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.534 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.355 0.598 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . . . -52.35 136.0 41.42 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.166 -0.959 . . . . 0.0 109.454 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -42.22 -30.31 1.35 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 17.7 m-85 -149.38 84.12 1.43 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.279 -0.888 . . . . 0.0 109.537 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 13.0 tpp180 -104.96 88.06 2.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.274 -0.891 . . . . 0.0 109.417 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.18 115.05 47.71 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.56 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -79.09 -27.54 4.43 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.686 2.257 . . . . 0.0 112.235 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.484 HD23 ' CE1' ' A' ' 81' ' ' HIS . 14.8 tp -46.36 -35.44 5.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.244 -0.91 . . . . 0.0 109.434 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.9 p -123.68 -17.14 6.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.423 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.632 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.74 80.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 109.398 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.32 148.94 23.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 109.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.29 121.5 2.2 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 m -139.43 132.68 15.57 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.242 -1.152 . . . . 0.0 109.48 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -72.98 -18.8 23.89 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.671 2.247 . . . . 0.0 112.294 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.67 137.42 34.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.156 -0.965 . . . . 0.0 109.434 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.604 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -79.12 -46.77 17.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.888 . . . . 0.0 109.431 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.77 -38.43 64.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 t -72.06 -37.72 69.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.263 -0.898 . . . . 0.0 109.347 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.537 ' O ' ' SD ' ' A' ' 74' ' ' MET . 4.4 tpp -71.26 -40.41 70.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.334 -0.854 . . . . 0.0 109.447 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.69 -35.8 75.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 0.0 109.412 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.95 -30.33 46.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.315 -0.865 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -79.03 -35.76 42.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.278 -0.889 . . . . 0.0 108.857 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -28.42 39.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.541 -0.725 . . . . 0.0 109.35 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -63.82 -15.98 60.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.231 -0.918 . . . . 0.0 109.146 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.26 -7.74 59.23 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.553 ' O ' ' C ' ' A' ' 82' ' ' SER . 2.8 m-70 -99.53 -82.94 0.43 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.315 -1.109 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 81' ' ' HIS . 11.3 m . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.43 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -115.01 164.68 16.01 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.204 -0.935 . . . . 0.0 109.477 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 55.3 Cg_exo -46.65 -55.89 3.43 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.816 2.344 . . . . 0.0 112.156 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 54.8 m-85 -124.13 97.15 5.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.0 109.421 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 90.34 3.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.548 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 28.4 p -80.57 115.09 52.9 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.889 . . . . 0.0 109.467 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -78.89 -26.66 5.28 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.718 2.279 . . . . 0.0 112.318 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 mp -46.0 -38.07 7.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.355 -0.84 . . . . 0.0 109.495 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 14.0 p -121.6 -18.19 7.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 109.466 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.625 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 84.37 68.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.885 . . . . 0.0 109.454 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.43 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -144.36 148.87 35.27 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.2 -0.938 . . . . 0.0 109.454 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.58 127.43 4.29 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.7 t -142.24 129.52 11.3 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.311 -1.111 . . . . 0.0 109.371 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.63 -3.48 13.8 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.99 137.56 40.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.145 -0.972 . . . . 0.0 109.53 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.72 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.5 tt -83.69 -42.19 16.9 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -0.886 . . . . 0.0 109.465 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.15 -57.31 12.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 109.567 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 t -55.55 -43.85 76.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.163 -0.961 . . . . 0.0 109.433 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.605 ' O ' ' SD ' ' A' ' 74' ' ' MET . 3.1 tpp -69.1 -35.95 77.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.71 -42.02 98.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 0.0 109.455 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.31 -34.03 76.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.477 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' ND1' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -79.26 -32.66 43.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.235 -0.916 . . . . 0.0 108.821 179.672 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -28.61 31.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.517 -0.739 . . . . 0.0 109.373 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -64.25 -19.41 65.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.269 -0.894 . . . . 0.0 109.235 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.89 2.69 64.34 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.515 ' CD2' ' CE1' ' A' ' 77' ' ' HIS . 0.3 OUTLIER -104.07 -28.91 11.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.245 -1.15 . . . . 0.0 109.541 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.495 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.08 156.72 37.83 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.339 -0.85 . . . . 0.0 109.467 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.13 -53.57 4.61 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.849 2.366 . . . . 0.0 112.157 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CD1' ' SD ' ' A' ' 74' ' ' MET . 1.3 m-85 -126.0 84.07 2.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 0.0 109.401 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -97.62 92.05 5.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.282 -0.886 . . . . 0.0 109.544 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.7 t -71.71 114.99 33.23 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.233 -0.917 . . . . 0.0 109.416 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.0 Cg_endo -78.87 -36.03 0.86 Allowed 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.694 2.263 . . . . 0.0 112.251 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.1 mt -43.86 -33.04 1.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.88 . . . . 0.0 109.513 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -125.63 -17.83 5.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.237 -0.915 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 79.94 72.47 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.326 -0.859 . . . . 0.0 109.255 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.89 158.6 43.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.89 . . . . 0.0 109.303 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.08 124.08 3.29 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.7 m -140.6 126.56 11.57 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.272 -1.134 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -73.82 -2.01 11.63 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.62 2.213 . . . . 0.0 112.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -113.92 137.28 51.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.258 -0.901 . . . . 0.0 109.274 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.679 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.9 tt -76.45 -37.67 56.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.0 109.456 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.79 -34.62 65.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.929 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.08 -48.65 67.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.332 -0.855 . . . . 0.0 109.397 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 59' ' ' TYR . 0.6 OUTLIER -68.47 -41.16 80.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 0.0 109.376 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -37.6 81.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.474 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -32.08 73.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.217 -0.927 . . . . 0.0 109.448 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.502 ' NE2' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -79.23 -28.7 42.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -0.905 . . . . 0.0 108.894 179.683 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mmm -54.3 -28.61 43.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.451 -0.781 . . . . 0.0 109.469 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -65.37 -7.11 12.17 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 109.334 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.39 -7.75 36.74 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CE1' ' NE2' ' A' ' 77' ' ' HIS . 1.4 m-70 -95.57 89.82 5.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -1.114 . . . . 0.0 109.417 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -101.03 165.8 13.55 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.48 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 76.5 Cg_exo -45.1 -65.73 0.18 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.906 2.404 . . . . 0.0 112.393 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.617 ' OH ' HD12 ' A' ' 71' ' ' LEU . 87.9 m-85 -105.1 99.26 8.88 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.246 -0.909 . . . . 0.0 109.623 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' O ' ' HD3' ' A' ' 62' ' ' PRO . 8.8 tpt180 -110.78 90.74 3.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 63' ' ' LEU . 41.9 t -87.96 112.21 47.69 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.327 -0.858 . . . . 0.0 109.688 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' LEU . 72.9 Cg_endo -82.27 -26.83 2.59 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.747 2.298 . . . . 0.0 112.001 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 10.6 mt -42.33 -39.94 2.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.841 . . . . 0.0 109.567 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.646 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -124.31 -11.45 7.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.237 -0.914 . . . . 0.0 109.343 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.646 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.8 OUTLIER 84.33 83.78 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.317 -0.864 . . . . 0.0 109.441 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.98 148.18 27.42 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.196 -0.94 . . . . 0.0 109.613 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.49 108.4 0.56 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 131.68 16.39 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.231 -1.158 . . . . 0.0 109.44 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.23 -4.58 15.67 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.632 2.221 . . . . 0.0 112.31 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.21 137.51 39.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.212 -0.93 . . . . 0.0 109.361 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.617 HD12 ' OH ' ' A' ' 59' ' ' TYR . 2.3 tt -83.65 -43.0 16.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.312 -0.868 . . . . 0.0 109.475 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.25 77.21 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.2 m -73.56 -33.61 64.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.171 -0.956 . . . . 0.0 109.521 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.648 ' O ' ' SD ' ' A' ' 74' ' ' MET . 7.5 tpp -77.37 -42.75 35.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.155 -0.966 . . . . 0.0 109.393 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -44.52 91.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.198 -0.939 . . . . 0.0 109.4 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.46 51.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.278 -0.889 . . . . 0.0 109.379 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.491 ' CE1' ' SG ' ' A' ' 64' ' ' CYS . 8.6 t60 -79.51 -30.08 41.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.267 -0.895 . . . . 0.0 108.703 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.3 mmm -75.06 -34.26 61.8 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.553 -0.717 . . . . 0.0 109.475 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -16.56 64.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -0.921 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -110.09 -3.43 29.72 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.69 -26.13 8.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.26 -1.141 . . . . 0.0 109.456 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.455 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.617 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -70.22 166.45 34.04 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.235 -0.916 . . . . 0.0 109.468 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.617 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 60.7 Cg_exo -46.92 -69.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.863 2.376 . . . . 0.0 112.182 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -105.41 94.34 5.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 109.4 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.598 ' NH2' HH11 ' A' ' 65' ' ' ARG . 0.0 OUTLIER -106.41 90.67 3.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.322 -0.862 . . . . 0.0 109.515 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 115.02 43.1 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -78.19 -37.56 0.76 Allowed 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.599 2.199 . . . . 0.0 112.191 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mt -47.29 -22.8 0.45 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.649 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 19.2 p -124.04 -28.28 3.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 109.42 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER 85.12 59.3 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 0.0 109.403 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.28 154.75 42.69 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.256 -0.903 . . . . 0.0 109.527 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.71 128.87 5.3 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.1 t -139.57 128.73 13.81 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.168 -1.195 . . . . 0.0 109.532 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.48 -16.58 21.55 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.629 2.219 . . . . 0.0 112.189 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -105.98 137.07 44.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.179 -0.95 . . . . 0.0 109.373 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.5 tt -79.96 -33.68 39.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.323 -0.861 . . . . 0.0 109.395 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.15 -51.61 63.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.528 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.3 m -72.89 -33.2 65.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.894 . . . . 0.0 109.559 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -37.4 87.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.53 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -64.79 -31.86 73.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.73 78.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.262 -0.899 . . . . 0.0 109.46 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.431 ' CE1' ' ND1' ' A' ' 81' ' ' HIS . 0.9 OUTLIER -79.64 -35.27 39.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.201 -0.937 . . . . 0.0 108.63 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.0 mtp -64.28 -32.04 73.47 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.651 -0.656 . . . . 0.0 109.373 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -21.8 66.58 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.351 -0.843 . . . . 0.0 109.144 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.69 -13.15 65.49 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.431 ' ND1' ' CE1' ' A' ' 77' ' ' HIS . 2.4 p-80 -163.65 138.63 6.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -1.122 . . . . 0.0 109.536 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.508 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.503 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -151.64 163.06 24.89 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.186 -0.946 . . . . 0.0 109.519 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 54.1 Cg_exo -47.1 -73.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.731 2.287 . . . . 0.0 112.186 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.13 90.86 4.52 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.169 -0.957 . . . . 0.0 109.496 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.97 91.41 5.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.288 -0.883 . . . . 0.0 109.383 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.5 t -81.19 115.38 55.9 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.176 -0.953 . . . . 0.0 109.571 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -78.76 -36.89 0.71 Allowed 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.702 2.268 . . . . 0.0 112.196 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 mp -46.91 -29.36 1.98 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.372 -0.83 . . . . 0.0 109.515 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.7 p -116.1 -28.01 6.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.612 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.93 71.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.325 -0.859 . . . . 0.0 109.219 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -165.26 150.62 9.35 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.293 -0.879 . . . . 0.0 109.452 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.14 118.99 3.97 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 126.69 24.99 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.247 -1.149 . . . . 0.0 109.327 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.71 -14.55 24.42 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.644 2.229 . . . . 0.0 112.29 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.49 137.14 45.01 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.184 -0.948 . . . . 0.0 109.294 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.819 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.9 tt -83.57 -33.72 25.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.329 -0.857 . . . . 0.0 109.452 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.55 -43.15 68.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.34 -0.85 . . . . 0.0 109.443 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.3 p -68.14 -54.05 20.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 109.406 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.9 ttp -60.11 -34.19 73.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.209 -0.932 . . . . 0.0 109.486 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -60.44 -34.78 74.47 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.161 -0.962 . . . . 0.0 109.519 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.0 -27.88 66.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.218 -0.926 . . . . 0.0 109.434 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.456 ' ND1' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -79.05 -28.61 43.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.213 -0.929 . . . . 0.0 108.917 179.792 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.456 ' N ' ' ND1' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -53.21 -28.64 27.97 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.445 -0.784 . . . . 0.0 109.334 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -66.07 -18.0 65.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.418 -0.801 . . . . 0.0 109.317 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.64 -18.92 26.45 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.531 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -80.33 50.78 1.31 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.283 -1.128 . . . . 0.0 109.385 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 81' ' ' HIS . 11.0 m . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.483 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -178.69 163.83 1.09 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.549 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 85.6 Cg_exo -43.0 -41.48 9.1 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.062 2.508 . . . . 0.0 112.54 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -132.13 88.8 2.59 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.231 -0.918 . . . . 0.0 109.624 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -90.63 91.41 8.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.29 -0.881 . . . . 0.0 109.356 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.5 t -69.66 113.98 21.19 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.411 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -80.39 -35.3 0.63 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.19 -29.26 3.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.241 -0.912 . . . . 0.0 109.574 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.573 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -121.5 -21.45 6.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.897 . . . . 0.0 109.393 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.573 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 82.49 61.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.371 -0.831 . . . . 0.0 109.225 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.87 170.71 15.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.369 -0.832 . . . . 0.0 109.358 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.21 123.58 2.13 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.59 129.76 18.62 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.274 -1.133 . . . . 0.0 109.257 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -72.93 -1.36 10.36 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.581 2.187 . . . . 0.0 112.347 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.51 137.3 48.39 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.166 -0.959 . . . . 0.0 109.323 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 71' ' ' LEU . 1.0 OUTLIER -83.65 -42.27 16.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.0 109.483 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.21 -48.27 74.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.248 -0.907 . . . . 0.0 109.463 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -47.67 75.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.407 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.555 ' SD ' ' C ' ' A' ' 74' ' ' MET . 5.8 tmm? -67.73 -46.99 70.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.264 -0.898 . . . . 0.0 109.374 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -41.04 80.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 0.0 109.411 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.14 65.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.892 . . . . 0.0 109.526 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.729 ' CE1' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -78.96 -28.5 43.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.863 . . . . 0.0 108.827 179.808 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.9 mmm -60.57 -29.95 69.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.52 -0.737 . . . . 0.0 109.546 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.61 -16.76 62.87 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.223 -0.923 . . . . 0.0 109.413 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 82' ' ' SER . . . -118.65 1.3 15.68 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.529 -1.429 . . . . 0.0 109.529 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.729 ' CD2' ' CE1' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -41.58 96.3 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.263 -1.139 . . . . 0.0 109.496 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.5 t . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.485 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 57' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -41.07 162.77 0.11 Allowed Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.218 -0.926 . . . . 0.0 109.381 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 87.3 Cg_exo -42.96 -52.89 4.36 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.868 2.379 . . . . 0.0 112.259 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 53.6 m-85 -125.86 80.83 1.94 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.236 -0.915 . . . . 0.0 109.391 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.419 ' HD2' HH11 ' A' ' 60' ' ' ARG . 9.1 tmm_? -88.98 92.96 9.44 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.842 . . . . 0.0 109.395 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.2 t -77.36 114.04 36.83 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.886 . . . . 0.0 109.531 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 63' ' ' LEU . 71.6 Cg_endo -80.68 -33.52 0.88 Allowed 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.761 2.307 . . . . 0.0 112.223 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' A' ' 62' ' ' PRO . 20.2 mt -37.47 -39.5 0.31 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.0 109.705 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.645 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -128.33 -12.04 5.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.125 -0.984 . . . . 0.0 109.675 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.645 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 85.22 97.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.273 -0.892 . . . . 0.0 109.421 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -168.36 156.11 8.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.908 . . . . 0.0 109.46 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.43 97.88 0.32 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 59' ' ' TYR . 3.7 m -104.0 119.46 54.26 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -1.141 . . . . 0.0 109.283 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.83 -16.35 18.47 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.505 2.137 . . . . 0.0 112.382 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.28 137.31 40.71 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.137 -0.977 . . . . 0.0 109.32 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.763 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.2 tt -70.91 -41.57 71.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 0.0 109.363 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.46 69.66 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.22 -0.925 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -68.97 -34.42 75.29 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.265 -0.897 . . . . 0.0 109.208 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.0 tpt -65.68 -50.18 65.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.242 -0.911 . . . . 0.0 109.404 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.55 -45.27 94.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.905 . . . . 0.0 109.331 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.47 -29.19 49.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.263 -0.898 . . . . 0.0 109.206 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.734 ' NE2' ' CD2' ' A' ' 81' ' ' HIS . 0.8 OUTLIER -79.09 -28.54 43.06 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.3 mmt -68.6 -28.5 66.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.571 -0.706 . . . . 0.0 109.39 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -30.1 71.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.265 -0.897 . . . . 0.0 108.974 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.38 -18.53 77.87 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.734 ' CD2' ' NE2' ' A' ' 77' ' ' HIS . 27.5 m-70 -84.83 -13.64 50.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.298 -1.119 . . . . 0.0 109.399 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.462 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.86 142.18 14.2 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.214 -0.929 . . . . 0.0 109.455 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -42.08 -66.85 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.832 2.355 . . . . 0.0 112.391 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -106.04 97.38 7.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.889 . . . . 0.0 109.713 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 90.58 3.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.358 -0.839 . . . . 0.0 109.256 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' A' ' 63' ' ' LEU . 39.4 t -82.18 114.06 48.23 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 0.0 109.572 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' LEU . 73.6 Cg_endo -80.92 -34.92 0.55 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.821 2.347 . . . . 0.0 112.304 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.634 HD12 ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -43.65 -33.88 1.32 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.334 -0.854 . . . . 0.0 109.736 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.647 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -117.73 -24.83 7.05 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.915 . . . . 0.0 109.507 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.647 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.2 tpp85 85.97 82.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.378 -0.826 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -173.53 148.7 1.58 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.235 -0.916 . . . . 0.0 109.458 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.16 121.73 4.0 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 m -134.34 129.73 19.83 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.237 -1.155 . . . . 0.0 109.365 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.78 -0.71 9.77 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.623 2.216 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m -107.71 137.55 45.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.18 -0.95 . . . . 0.0 109.325 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.85 ' O ' HD23 ' A' ' 71' ' ' LEU . 2.3 tt -78.38 -31.95 48.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 109.461 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.5 -52.89 58.14 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -0.912 . . . . 0.0 109.37 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -42.3 98.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.0 109.355 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -62.75 -45.21 93.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.871 . . . . 0.0 109.415 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -68.95 -41.63 77.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 0.0 109.402 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.91 69.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.221 -0.924 . . . . 0.0 109.5 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.809 ' HE2' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -79.48 -34.44 41.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 0.0 108.788 179.699 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.72 -28.73 67.58 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.58 -0.7 . . . . 0.0 109.565 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -66.64 -23.25 66.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 82' ' ' SER . . . -88.93 -10.55 66.51 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.809 ' CD2' ' HE2' ' A' ' 77' ' ' HIS . 1.8 m-70 -76.38 37.17 0.16 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.242 -1.152 . . . . 0.0 109.45 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.953 -1.023 . . . . 0.0 109.532 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -44.4 -65.07 0.21 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.778 2.319 . . . . 0.0 112.202 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.45 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -114.05 79.39 1.25 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 109.451 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.09 93.02 9.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.272 -0.892 . . . . 0.0 109.524 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.6 t -87.59 113.24 53.38 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 63' ' ' LEU . 60.3 Cg_endo -78.49 -36.12 0.99 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.619 2.213 . . . . 0.0 112.136 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -35.98 -35.21 0.06 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.294 -0.879 . . . . 0.0 109.512 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.65 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -120.86 -21.31 6.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.273 -0.892 . . . . 0.0 109.381 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.65 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 8.4 tpp180 86.59 82.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -176.65 151.08 0.89 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.239 -0.913 . . . . 0.0 109.449 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.13 133.51 7.16 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.3 t -137.51 136.61 20.57 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.222 -1.164 . . . . 0.0 109.37 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -73.05 -11.16 25.19 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 t -103.1 137.23 41.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.205 -0.935 . . . . 0.0 109.396 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.7 tt -83.7 -43.71 15.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.0 109.592 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -34.02 57.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.225 -0.922 . . . . 0.0 109.507 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.4 t -69.62 -55.17 10.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.89 . . . . 0.0 109.528 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -41.13 96.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 0.0 109.48 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.441 ' C ' ' CD ' ' A' ' 75' ' ' GLN . 19.4 tm0? -57.81 -40.29 79.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 109.415 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.43 69.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.317 -0.864 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -79.3 -29.07 42.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.303 -0.873 . . . . 0.0 108.919 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mmt -60.58 -28.66 68.65 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.508 -0.745 . . . . 0.0 109.513 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 79' ' ' ARG . 1.5 ttt85 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -44.15 -57.73 1.8 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.769 2.312 . . . . 0.0 112.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.96 96.91 6.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.875 . . . . 0.0 109.563 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.58 90.96 3.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.64 114.9 58.11 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.26 -0.9 . . . . 0.0 109.524 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.3 Cg_endo -78.89 -36.88 0.67 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.747 2.298 . . . . 0.0 112.201 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' PRO . 6.6 mt -39.79 -34.8 0.28 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.649 ' SG ' ' NE2' ' A' ' 77' ' ' HIS . 25.9 p -119.58 -21.89 7.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.948 . . . . 0.0 109.458 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.632 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 84.8 82.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.448 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -163.95 148.5 10.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.913 . . . . 0.0 109.416 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.95 112.76 0.92 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.26 134.89 20.3 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.299 -1.118 . . . . 0.0 109.372 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.45 -2.91 12.83 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.624 2.216 . . . . 0.0 112.228 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.8 p -110.28 137.36 48.12 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.232 -0.917 . . . . 0.0 109.28 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.81 HD23 ' O ' ' A' ' 71' ' ' LEU . 6.5 tt -82.32 -40.42 21.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.84 . . . . 0.0 109.399 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.21 70.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.441 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.0 t -66.85 -34.08 77.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.21 -0.931 . . . . 0.0 109.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.555 ' C ' ' SD ' ' A' ' 74' ' ' MET . 9.7 tmm? -70.42 -38.53 74.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 109.466 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.642 ' CD ' ' NH1' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -56.14 -36.02 67.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 0.0 109.436 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.44 -28.33 66.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.923 . . . . 0.0 109.422 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.649 ' NE2' ' SG ' ' A' ' 64' ' ' CYS . 0.5 OUTLIER -79.17 -28.39 42.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.26 -0.9 . . . . 0.0 108.842 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mmm -73.65 -37.39 65.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.459 -0.775 . . . . 0.0 109.385 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.642 ' NH1' ' CD ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.272 -0.893 . . . . 0.0 109.278 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.88 -58.68 1.33 Allowed 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.745 2.297 . . . . 0.0 112.14 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -129.59 99.14 5.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 0.0 109.403 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -102.71 89.66 3.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.573 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.6 OUTLIER -69.83 122.13 84.94 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.281 -0.887 . . . . 0.0 109.432 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.565 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.2 Cg_endo -77.42 -40.3 0.45 Allowed 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.754 2.302 . . . . 0.0 112.327 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.565 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.2 mp -33.77 -41.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 0.0 109.433 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.726 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 16.2 p -124.65 -21.28 4.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.326 -0.858 . . . . 0.0 109.311 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.09 75.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.0 109.429 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.24 148.78 32.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.185 -0.947 . . . . 0.0 109.369 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.03 123.93 5.84 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 131.06 20.05 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.292 -1.122 . . . . 0.0 109.309 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.13 -26.17 18.32 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.665 2.243 . . . . 0.0 112.298 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -95.24 137.19 34.62 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.131 -0.98 . . . . 0.0 109.328 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 71' ' ' LEU . 3.5 tt -78.64 -37.27 42.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.246 -0.909 . . . . 0.0 109.465 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.64 -42.54 67.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.331 -0.855 . . . . 0.0 109.411 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 m -66.07 -50.43 64.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.214 -0.928 . . . . 0.0 109.445 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.63 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -57.76 -45.54 85.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 109.4 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -65.26 -51.29 61.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 109.369 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.23 61.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.258 -0.901 . . . . 0.0 109.351 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.31 -29.57 42.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.926 . . . . 0.0 108.678 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -28.77 66.86 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.505 -0.747 . . . . 0.0 109.402 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 . . . . . 0 N--CA 1.489 1.504 0 O-C-N 121.248 -0.908 . . . . 0.0 109.299 179.878 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 72.2 Cg_exo -44.28 -37.78 10.58 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.923 2.416 . . . . 0.0 112.207 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.435 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 43.1 m-85 -137.36 93.52 2.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.211 -0.931 . . . . 0.0 109.53 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' C ' ' CD ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -105.71 91.19 3.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 109.503 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.734 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 27.0 t -80.87 115.12 53.67 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.299 -0.876 . . . . 0.0 109.39 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -78.69 -31.18 2.63 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.673 2.249 . . . . 0.0 112.285 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.35 -21.28 1.35 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -0.882 . . . . 0.0 109.514 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.734 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -125.75 -27.1 3.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.542 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.664 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER 87.23 54.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 109.41 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.06 150.21 35.54 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.221 -0.924 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.45 114.8 1.5 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.7 m -120.88 129.95 25.07 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.207 -1.172 . . . . 0.0 109.434 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -73.86 -4.3 15.19 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.625 2.216 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -110.94 137.28 48.77 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.187 -0.946 . . . . 0.0 109.304 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.918 HD23 ' O ' ' A' ' 71' ' ' LEU . 5.6 tt -72.91 -30.79 64.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.363 -0.836 . . . . 0.0 109.433 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -50.83 69.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.328 -0.858 . . . . 0.0 109.366 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.2 -37.82 72.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.239 -0.913 . . . . 0.0 109.434 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 59' ' ' TYR . 44.6 ttp -76.83 -39.78 50.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 109.407 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -31.92 63.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.216 -0.927 . . . . 0.0 109.433 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.73 -27.8 64.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 0.0 109.459 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.615 ' C ' ' ND1' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -79.24 -32.43 43.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.282 -0.886 . . . . 0.0 108.869 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.537 ' N ' ' HD1' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -61.39 -34.66 75.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.557 -0.714 . . . . 0.0 109.437 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.2 -0.938 . . . . 0.0 109.163 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 56.2 Cg_exo -46.16 -51.53 8.45 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.715 2.277 . . . . 0.0 112.202 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -126.95 84.02 2.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -0.909 . . . . 0.0 109.548 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -100.79 93.06 5.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -0.849 . . . . 0.0 109.391 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 t -84.32 118.76 71.97 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.591 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.1 Cg_endo -78.07 -35.06 1.44 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.73 2.287 . . . . 0.0 112.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' PRO . 3.0 mt -40.81 -32.49 0.22 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.315 -0.866 . . . . 0.0 109.554 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.638 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.6 p -118.46 -25.19 6.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.0 109.439 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.638 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 86.02 65.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 0.0 109.331 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.84 159.24 32.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.369 -0.832 . . . . 0.0 109.55 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.72 139.18 9.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 m -143.12 130.19 10.75 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.218 -1.166 . . . . 0.0 109.391 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.06 -4.27 15.13 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.627 2.218 . . . . 0.0 112.24 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -108.9 137.38 46.91 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.228 -0.92 . . . . 0.0 109.424 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.9 tt -82.69 -37.11 25.24 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.281 -0.887 . . . . 0.0 109.462 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.9 -43.18 77.01 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.389 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.5 t -73.21 -40.08 65.02 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.178 -0.951 . . . . 0.0 109.407 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -28.56 64.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.298 -0.876 . . . . 0.0 109.502 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -67.27 -43.25 82.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.215 -0.928 . . . . 0.0 109.462 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.64 69.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.882 . . . . 0.0 109.417 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -35.92 41.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 108.786 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.14 -29.27 63.46 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.523 -0.736 . . . . 0.0 109.366 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.306 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 72.8 Cg_exo -44.1 -54.59 3.74 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.9 2.4 . . . . 0.0 112.175 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 45.4 m-85 -129.87 86.65 2.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.148 -0.97 . . . . 0.0 109.499 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.477 HH12 ' HD2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -99.76 92.44 5.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 109.462 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.465 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -78.95 115.53 53.03 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.898 . . . . 0.0 109.406 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.3 Cg_endo -78.5 -30.36 3.22 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.676 2.251 . . . . 0.0 112.267 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 62' ' ' PRO . 37.2 mt -40.69 -39.94 1.19 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.254 -0.903 . . . . 0.0 109.645 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.622 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -125.16 -15.87 6.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.476 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.622 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 5.8 tpt180 84.97 84.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 0.0 109.454 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.36 156.43 32.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.497 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.94 125.34 3.7 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 p -132.21 128.27 21.23 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.283 -1.128 . . . . 0.0 109.445 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.32 -19.84 19.22 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.538 2.159 . . . . 0.0 112.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -100.05 137.22 38.8 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.227 -0.921 . . . . 0.0 109.311 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.837 HD23 ' O ' ' A' ' 71' ' ' LEU . 4.4 tt -68.9 -35.72 77.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.457 -0.777 . . . . 0.0 109.442 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.87 -44.87 70.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.27 -0.894 . . . . 0.0 109.374 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.1 m -64.32 -44.69 90.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.351 -0.843 . . . . 0.0 109.301 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.55 ' C ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -55.38 -52.89 62.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.313 -0.867 . . . . 0.0 109.399 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -61.36 -46.57 89.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.305 -0.872 . . . . 0.0 109.284 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.59 -26.38 43.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.313 -0.867 . . . . 0.0 109.321 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.476 ' NE2' ' SG ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -78.96 -28.37 43.65 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.286 -0.884 . . . . 0.0 108.802 179.78 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.5 mmm -73.31 -30.4 63.36 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.54 -0.725 . . . . 0.0 109.504 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.931 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -42.22 -30.31 1.35 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 17.7 m-85 -149.38 84.12 1.43 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.279 -0.888 . . . . 0.0 109.537 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 13.0 tpp180 -104.96 88.06 2.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.274 -0.891 . . . . 0.0 109.417 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.597 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.1 OUTLIER -78.18 115.05 47.71 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.56 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -79.09 -27.54 4.43 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.686 2.257 . . . . 0.0 112.235 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 63' ' ' LEU . 14.8 tp -46.36 -35.44 5.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.244 -0.91 . . . . 0.0 109.434 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.9 p -123.68 -17.14 6.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.423 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.632 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.74 80.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 109.398 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.32 148.94 23.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 109.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.29 121.5 2.2 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 m -139.43 132.68 15.57 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.242 -1.152 . . . . 0.0 109.48 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -72.98 -18.8 23.89 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.671 2.247 . . . . 0.0 112.294 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.67 137.42 34.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.156 -0.965 . . . . 0.0 109.434 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -79.12 -46.77 17.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.888 . . . . 0.0 109.431 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.77 -38.43 64.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 t -72.06 -37.72 69.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.263 -0.898 . . . . 0.0 109.347 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.537 ' SD ' ' O ' ' A' ' 74' ' ' MET . 4.4 tpp -71.26 -40.41 70.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.334 -0.854 . . . . 0.0 109.447 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -59.69 -35.8 75.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 0.0 109.412 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.95 -30.33 46.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.315 -0.865 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -79.03 -35.76 42.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.278 -0.889 . . . . 0.0 108.857 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -28.42 39.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.541 -0.725 . . . . 0.0 109.35 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 N--CA 1.489 1.49 0 O-C-N 121.231 -0.918 . . . . 0.0 109.146 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 55.3 Cg_exo -46.65 -55.89 3.43 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.816 2.344 . . . . 0.0 112.156 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 54.8 m-85 -124.13 97.15 5.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.0 109.421 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 90.34 3.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.548 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 28.4 p -80.57 115.09 52.9 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.889 . . . . 0.0 109.467 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -78.89 -26.66 5.28 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.718 2.279 . . . . 0.0 112.318 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 mp -46.0 -38.07 7.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.355 -0.84 . . . . 0.0 109.495 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 14.0 p -121.6 -18.19 7.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 109.466 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.625 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 84.37 68.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.885 . . . . 0.0 109.454 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.43 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -144.36 148.87 35.27 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.2 -0.938 . . . . 0.0 109.454 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.58 127.43 4.29 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.7 t -142.24 129.52 11.3 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.311 -1.111 . . . . 0.0 109.371 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.63 -3.48 13.8 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.99 137.56 40.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.145 -0.972 . . . . 0.0 109.53 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.5 tt -83.69 -42.19 16.9 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -0.886 . . . . 0.0 109.465 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.15 -57.31 12.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 109.567 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 t -55.55 -43.85 76.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.163 -0.961 . . . . 0.0 109.433 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.605 ' SD ' ' O ' ' A' ' 74' ' ' MET . 3.1 tpp -69.1 -35.95 77.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.71 -42.02 98.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 0.0 109.455 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.31 -34.03 76.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.477 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' ND1' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -79.26 -32.66 43.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.235 -0.916 . . . . 0.0 108.821 179.672 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -28.61 31.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.517 -0.739 . . . . 0.0 109.373 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.269 -0.894 . . . . 0.0 109.235 179.853 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.13 -53.57 4.61 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.849 2.366 . . . . 0.0 112.157 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CD1' ' SD ' ' A' ' 74' ' ' MET . 1.3 m-85 -126.0 84.07 2.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 0.0 109.401 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -97.62 92.05 5.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.282 -0.886 . . . . 0.0 109.544 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 9.7 t -71.71 114.99 33.23 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.233 -0.917 . . . . 0.0 109.416 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.0 Cg_endo -78.87 -36.03 0.86 Allowed 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.694 2.263 . . . . 0.0 112.251 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.1 mt -43.86 -33.04 1.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.88 . . . . 0.0 109.513 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.684 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 0.5 OUTLIER -125.63 -17.83 5.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.237 -0.915 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 79.94 72.47 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.326 -0.859 . . . . 0.0 109.255 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.89 158.6 43.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.89 . . . . 0.0 109.303 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.08 124.08 3.29 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.7 m -140.6 126.56 11.57 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.272 -1.134 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -73.82 -2.01 11.63 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.62 2.213 . . . . 0.0 112.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -113.92 137.28 51.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.258 -0.901 . . . . 0.0 109.274 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.9 tt -76.45 -37.67 56.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.0 109.456 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.79 -34.62 65.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.929 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.08 -48.65 67.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.332 -0.855 . . . . 0.0 109.397 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 59' ' ' TYR . 0.6 OUTLIER -68.47 -41.16 80.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 0.0 109.376 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -37.6 81.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.474 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -32.08 73.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.217 -0.927 . . . . 0.0 109.448 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -28.7 42.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -0.905 . . . . 0.0 108.894 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mmm -54.3 -28.61 43.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.451 -0.781 . . . . 0.0 109.469 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 109.334 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 76.5 Cg_exo -45.1 -65.73 0.18 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.906 2.404 . . . . 0.0 112.393 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.617 ' OH ' HD12 ' A' ' 71' ' ' LEU . 87.9 m-85 -105.1 99.26 8.88 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.246 -0.909 . . . . 0.0 109.623 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.416 ' O ' ' HD3' ' A' ' 62' ' ' PRO . 8.8 tpt180 -110.78 90.74 3.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 63' ' ' LEU . 41.9 t -87.96 112.21 47.69 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.327 -0.858 . . . . 0.0 109.688 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' LEU . 72.9 Cg_endo -82.27 -26.83 2.59 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.747 2.298 . . . . 0.0 112.001 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 10.6 mt -42.33 -39.94 2.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.841 . . . . 0.0 109.567 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.755 ' SG ' ' NE2' ' A' ' 77' ' ' HIS . 0.8 OUTLIER -124.31 -11.45 7.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.237 -0.914 . . . . 0.0 109.343 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.646 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.8 OUTLIER 84.33 83.78 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.317 -0.864 . . . . 0.0 109.441 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.98 148.18 27.42 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.196 -0.94 . . . . 0.0 109.613 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.49 108.4 0.56 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 131.68 16.39 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.231 -1.158 . . . . 0.0 109.44 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.23 -4.58 15.67 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.632 2.221 . . . . 0.0 112.31 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.21 137.51 39.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.212 -0.93 . . . . 0.0 109.361 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.617 HD12 ' OH ' ' A' ' 59' ' ' TYR . 2.3 tt -83.65 -43.0 16.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.312 -0.868 . . . . 0.0 109.475 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.25 77.21 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.2 m -73.56 -33.61 64.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.171 -0.956 . . . . 0.0 109.521 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.648 ' SD ' ' O ' ' A' ' 74' ' ' MET . 7.5 tpp -77.37 -42.75 35.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.155 -0.966 . . . . 0.0 109.393 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -44.52 91.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.198 -0.939 . . . . 0.0 109.4 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.46 51.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.278 -0.889 . . . . 0.0 109.379 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.755 ' NE2' ' SG ' ' A' ' 64' ' ' CYS . 8.6 t60 -79.51 -30.08 41.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.267 -0.895 . . . . 0.0 108.703 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.3 mmm -75.06 -34.26 61.8 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.553 -0.717 . . . . 0.0 109.475 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.226 -0.921 . . . . 0.0 109.346 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.617 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.617 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 60.7 Cg_exo -46.92 -69.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.863 2.376 . . . . 0.0 112.182 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -105.41 94.34 5.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 109.4 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.598 ' NH2' HH11 ' A' ' 65' ' ' ARG . 0.0 OUTLIER -106.41 90.67 3.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.322 -0.862 . . . . 0.0 109.515 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -76.12 115.02 43.1 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -78.19 -37.56 0.76 Allowed 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.599 2.199 . . . . 0.0 112.191 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mt -47.29 -22.8 0.45 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.649 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 19.2 p -124.04 -28.28 3.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 109.42 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER 85.12 59.3 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 0.0 109.403 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.28 154.75 42.69 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.256 -0.903 . . . . 0.0 109.527 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.71 128.87 5.3 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.1 t -139.57 128.73 13.81 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.168 -1.195 . . . . 0.0 109.532 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.48 -16.58 21.55 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.629 2.219 . . . . 0.0 112.189 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -105.98 137.07 44.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.179 -0.95 . . . . 0.0 109.373 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.5 tt -79.96 -33.68 39.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.323 -0.861 . . . . 0.0 109.395 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.15 -51.61 63.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.528 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.3 m -72.89 -33.2 65.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.894 . . . . 0.0 109.559 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -37.4 87.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.53 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -64.79 -31.86 73.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.73 78.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.262 -0.899 . . . . 0.0 109.46 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.643 ' NE2' ' SG ' ' A' ' 64' ' ' CYS . 0.9 OUTLIER -79.64 -35.27 39.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.201 -0.937 . . . . 0.0 108.63 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.0 mtp -64.28 -32.04 73.47 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.651 -0.656 . . . . 0.0 109.373 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.351 -0.843 . . . . 0.0 109.144 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.503 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 54.1 Cg_exo -47.1 -73.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.731 2.287 . . . . 0.0 112.186 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.13 90.86 4.52 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.169 -0.957 . . . . 0.0 109.496 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.97 91.41 5.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.288 -0.883 . . . . 0.0 109.383 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 43.5 t -81.19 115.38 55.9 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.176 -0.953 . . . . 0.0 109.571 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -78.76 -36.89 0.71 Allowed 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.702 2.268 . . . . 0.0 112.196 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 mp -46.91 -29.36 1.98 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.372 -0.83 . . . . 0.0 109.515 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.7 p -116.1 -28.01 6.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.612 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.93 71.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.325 -0.859 . . . . 0.0 109.219 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -165.26 150.62 9.35 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.293 -0.879 . . . . 0.0 109.452 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.14 118.99 3.97 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 126.69 24.99 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.247 -1.149 . . . . 0.0 109.327 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.71 -14.55 24.42 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.644 2.229 . . . . 0.0 112.29 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.49 137.14 45.01 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.184 -0.948 . . . . 0.0 109.294 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.9 tt -83.57 -33.72 25.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.329 -0.857 . . . . 0.0 109.452 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.55 -43.15 68.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.34 -0.85 . . . . 0.0 109.443 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.3 p -68.14 -54.05 20.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 109.406 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.9 ttp -60.11 -34.19 73.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.209 -0.932 . . . . 0.0 109.486 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -60.44 -34.78 74.47 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.161 -0.962 . . . . 0.0 109.519 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.0 -27.88 66.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.218 -0.926 . . . . 0.0 109.434 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.456 ' ND1' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -79.05 -28.61 43.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.213 -0.929 . . . . 0.0 108.917 179.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.456 ' N ' ' ND1' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -53.21 -28.64 27.97 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.445 -0.784 . . . . 0.0 109.334 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.418 -0.801 . . . . 0.0 109.317 179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 85.6 Cg_exo -43.0 -41.48 9.1 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.062 2.508 . . . . 0.0 112.54 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -132.13 88.8 2.59 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.231 -0.918 . . . . 0.0 109.624 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -90.63 91.41 8.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.29 -0.881 . . . . 0.0 109.356 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.697 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 53.5 t -69.66 113.98 21.19 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.411 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -80.39 -35.3 0.63 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.19 -29.26 3.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.241 -0.912 . . . . 0.0 109.574 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.697 ' SG ' ' SG ' ' A' ' 61' ' ' CYS . 0.7 OUTLIER -121.5 -21.45 6.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.897 . . . . 0.0 109.393 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.573 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 82.49 61.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.371 -0.831 . . . . 0.0 109.225 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.87 170.71 15.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.369 -0.832 . . . . 0.0 109.358 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.21 123.58 2.13 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.59 129.76 18.62 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.274 -1.133 . . . . 0.0 109.257 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -72.93 -1.36 10.36 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.581 2.187 . . . . 0.0 112.347 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.51 137.3 48.39 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.166 -0.959 . . . . 0.0 109.323 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -83.65 -42.27 16.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.0 109.483 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.21 -48.27 74.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.248 -0.907 . . . . 0.0 109.463 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -47.67 75.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.407 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.555 ' C ' ' SD ' ' A' ' 74' ' ' MET . 5.8 tmm? -67.73 -46.99 70.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.264 -0.898 . . . . 0.0 109.374 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -41.04 80.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 0.0 109.411 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.14 65.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.892 . . . . 0.0 109.526 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -28.5 43.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.863 . . . . 0.0 108.827 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.9 mmm -60.57 -29.95 69.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.52 -0.737 . . . . 0.0 109.546 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.223 -0.923 . . . . 0.0 109.413 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 87.3 Cg_exo -42.96 -52.89 4.36 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.868 2.379 . . . . 0.0 112.259 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 53.6 m-85 -125.86 80.83 1.94 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.236 -0.915 . . . . 0.0 109.391 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.419 ' HD2' HH11 ' A' ' 60' ' ' ARG . 9.1 tmm_? -88.98 92.96 9.44 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.842 . . . . 0.0 109.395 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.2 t -77.36 114.04 36.83 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.886 . . . . 0.0 109.531 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 63' ' ' LEU . 71.6 Cg_endo -80.68 -33.52 0.88 Allowed 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.761 2.307 . . . . 0.0 112.223 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' A' ' 62' ' ' PRO . 20.2 mt -37.47 -39.5 0.31 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.0 109.705 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.645 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -128.33 -12.04 5.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.125 -0.984 . . . . 0.0 109.675 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.645 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 85.22 97.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.273 -0.892 . . . . 0.0 109.421 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -168.36 156.11 8.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.908 . . . . 0.0 109.46 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.43 97.88 0.32 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 59' ' ' TYR . 3.7 m -104.0 119.46 54.26 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -1.141 . . . . 0.0 109.283 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.83 -16.35 18.47 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.505 2.137 . . . . 0.0 112.382 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.28 137.31 40.71 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.137 -0.977 . . . . 0.0 109.32 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.2 tt -70.91 -41.57 71.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 0.0 109.363 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.46 69.66 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.22 -0.925 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -68.97 -34.42 75.29 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.265 -0.897 . . . . 0.0 109.208 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.0 tpt -65.68 -50.18 65.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.242 -0.911 . . . . 0.0 109.404 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.55 -45.27 94.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.905 . . . . 0.0 109.331 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.47 -29.19 49.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.263 -0.898 . . . . 0.0 109.206 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.09 -28.54 43.06 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.3 mmt -68.6 -28.5 66.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.571 -0.706 . . . . 0.0 109.39 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.463 0 O-C-N 121.265 -0.897 . . . . 0.0 108.974 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -42.08 -66.85 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.832 2.355 . . . . 0.0 112.391 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -106.04 97.38 7.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.889 . . . . 0.0 109.713 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 90.58 3.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.358 -0.839 . . . . 0.0 109.256 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' A' ' 63' ' ' LEU . 39.4 t -82.18 114.06 48.23 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 0.0 109.572 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' LEU . 73.6 Cg_endo -80.92 -34.92 0.55 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.821 2.347 . . . . 0.0 112.304 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.634 HD12 ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -43.65 -33.88 1.32 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.334 -0.854 . . . . 0.0 109.736 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.647 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -117.73 -24.83 7.05 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.915 . . . . 0.0 109.507 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.647 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.2 tpp85 85.97 82.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.378 -0.826 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -173.53 148.7 1.58 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.235 -0.916 . . . . 0.0 109.458 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.16 121.73 4.0 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 m -134.34 129.73 19.83 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.237 -1.155 . . . . 0.0 109.365 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.78 -0.71 9.77 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.623 2.216 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m -107.71 137.55 45.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.18 -0.95 . . . . 0.0 109.325 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.85 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.3 tt -78.38 -31.95 48.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 109.461 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.5 -52.89 58.14 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -0.912 . . . . 0.0 109.37 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -42.3 98.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.0 109.355 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -62.75 -45.21 93.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.871 . . . . 0.0 109.415 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -68.95 -41.63 77.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 0.0 109.402 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.91 69.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.221 -0.924 . . . . 0.0 109.5 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.468 ' CD2' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -79.48 -34.44 41.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 0.0 108.788 179.699 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.72 -28.73 67.58 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.58 -0.7 . . . . 0.0 109.565 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.349 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.67 156.82 90.09 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.206 -0.934 . . . . 0.0 109.482 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -44.4 -65.07 0.21 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.778 2.319 . . . . 0.0 112.202 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.45 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 0.3 OUTLIER -114.05 79.39 1.25 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 109.451 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.09 93.02 9.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.272 -0.892 . . . . 0.0 109.524 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 42.6 t -87.59 113.24 53.38 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.242 -0.911 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 63' ' ' LEU . 60.3 Cg_endo -78.49 -36.12 0.99 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.619 2.213 . . . . 0.0 112.136 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 62' ' ' PRO . 0.6 OUTLIER -35.98 -35.21 0.06 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.294 -0.879 . . . . 0.0 109.512 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.65 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -120.86 -21.31 6.63 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.273 -0.892 . . . . 0.0 109.381 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.65 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 8.4 tpp180 86.59 82.35 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.849 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -176.65 151.08 0.89 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.239 -0.913 . . . . 0.0 109.449 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.13 133.51 7.16 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.3 t -137.51 136.61 20.57 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 121.222 -1.164 . . . . 0.0 109.37 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -73.05 -11.16 25.19 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 t -103.1 137.23 41.55 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.205 -0.935 . . . . 0.0 109.396 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.7 tt -83.7 -43.71 15.25 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.397 -0.814 . . . . 0.0 109.592 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.69 -34.02 57.36 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.225 -0.922 . . . . 0.0 109.507 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.4 t -69.62 -55.17 10.81 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.277 -0.89 . . . . 0.0 109.528 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -41.13 96.14 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.257 -0.902 . . . . 0.0 109.48 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.441 ' C ' ' CD ' ' A' ' 75' ' ' GLN . 19.4 tm0? -57.81 -40.29 79.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.316 -0.865 . . . . 0.0 109.415 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.43 69.95 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.317 -0.864 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.663 ' NE2' ' CD2' ' A' ' 81' ' ' HIS . 0.9 OUTLIER -79.3 -29.07 42.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.303 -0.873 . . . . 0.0 108.919 179.79 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.8 mmt -60.58 -28.66 68.65 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.508 -0.745 . . . . 0.0 109.513 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 79' ' ' ARG . 1.5 ttt85 -67.03 -18.87 65.56 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -0.895 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 82' ' ' SER . . . -96.89 -15.91 37.79 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.663 ' CD2' ' NE2' ' A' ' 77' ' ' HIS . 0.3 OUTLIER -63.98 79.39 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.243 -1.151 . . . . 0.0 109.556 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.545 ' O ' ' OG ' ' A' ' 82' ' ' SER . 8.3 p . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.449 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.51 154.08 38.1 Favored Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.288 -0.883 . . . . 0.0 109.499 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -44.15 -57.73 1.8 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.769 2.312 . . . . 0.0 112.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.96 96.91 6.07 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.875 . . . . 0.0 109.563 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.58 90.96 3.47 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.886 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.64 114.9 58.11 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.26 -0.9 . . . . 0.0 109.524 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.3 Cg_endo -78.89 -36.88 0.67 Allowed 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 122.747 2.298 . . . . 0.0 112.201 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' PRO . 6.6 mt -39.79 -34.8 0.28 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.247 -0.908 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 25.9 p -119.58 -21.89 7.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.948 . . . . 0.0 109.458 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.632 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 84.8 82.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.448 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -163.95 148.5 10.28 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.24 -0.913 . . . . 0.0 109.416 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.95 112.76 0.92 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.26 134.89 20.3 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.299 -1.118 . . . . 0.0 109.372 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.45 -2.91 12.83 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.624 2.216 . . . . 0.0 112.228 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.8 p -110.28 137.36 48.12 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.232 -0.917 . . . . 0.0 109.28 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.81 HD23 ' O ' ' A' ' 71' ' ' LEU . 6.5 tt -82.32 -40.42 21.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.84 . . . . 0.0 109.399 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.7 -47.21 70.72 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.441 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.0 t -66.85 -34.08 77.01 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.21 -0.931 . . . . 0.0 109.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.555 ' C ' ' SD ' ' A' ' 74' ' ' MET . 9.7 tmm? -70.42 -38.53 74.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 109.466 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.642 ' CD ' ' NH1' ' A' ' 79' ' ' ARG . 0.3 OUTLIER -56.14 -36.02 67.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.276 -0.89 . . . . 0.0 109.436 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.44 -28.33 66.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.923 . . . . 0.0 109.422 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.594 ' CE1' ' CD2' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -79.17 -28.39 42.73 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.26 -0.9 . . . . 0.0 108.842 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mmm -73.65 -37.39 65.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.459 -0.775 . . . . 0.0 109.385 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.642 ' NH1' ' CD ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -67.41 -10.71 53.87 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.272 -0.893 . . . . 0.0 109.278 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -110.58 -5.44 27.8 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.594 ' CD2' ' CE1' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -61.04 104.71 0.4 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.3 -1.118 . . . . 0.0 109.426 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.416 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -167.7 154.59 7.77 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.347 -0.846 . . . . 0.0 109.402 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -43.88 -58.68 1.33 Allowed 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.745 2.297 . . . . 0.0 112.14 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -129.59 99.14 5.05 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 0.0 109.403 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -102.71 89.66 3.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.573 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.68 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 0.6 OUTLIER -69.83 122.13 84.94 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.281 -0.887 . . . . 0.0 109.432 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.565 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.2 Cg_endo -77.42 -40.3 0.45 Allowed 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.754 2.302 . . . . 0.0 112.327 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.565 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.2 mp -33.77 -41.04 0.09 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.345 -0.847 . . . . 0.0 109.433 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.601 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 16.2 p -124.65 -21.28 4.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.326 -0.858 . . . . 0.0 109.311 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.09 75.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.0 109.429 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.24 148.78 32.84 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.185 -0.947 . . . . 0.0 109.369 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.03 123.93 5.84 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.66 131.06 20.05 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.292 -1.122 . . . . 0.0 109.309 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.13 -26.17 18.32 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.665 2.243 . . . . 0.0 112.298 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -95.24 137.19 34.62 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.131 -0.98 . . . . 0.0 109.328 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 71' ' ' LEU . 3.5 tt -78.64 -37.27 42.48 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.246 -0.909 . . . . 0.0 109.465 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.64 -42.54 67.9 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.331 -0.855 . . . . 0.0 109.411 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.8 m -66.07 -50.43 64.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.214 -0.928 . . . . 0.0 109.445 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.63 ' SD ' ' O ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -57.76 -45.54 85.76 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 109.4 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -65.26 -51.29 61.72 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.305 -0.872 . . . . 0.0 109.369 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.17 -30.23 61.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.258 -0.901 . . . . 0.0 109.351 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.31 -29.57 42.43 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.218 -0.926 . . . . 0.0 108.678 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -28.77 66.86 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.505 -0.747 . . . . 0.0 109.402 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.2 tpt85 -68.59 -15.52 63.56 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.248 -0.908 . . . . 0.0 109.299 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -121.92 10.8 9.5 Favored Glycine 0 N--CA 1.489 2.168 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -22.7 7.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.283 -1.127 . . . . 0.0 109.441 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.477 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -111.59 164.31 15.37 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.237 -0.914 . . . . 0.0 109.493 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 72.2 Cg_exo -44.28 -37.78 10.58 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.923 2.416 . . . . 0.0 112.207 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.435 ' HB3' ' SD ' ' A' ' 74' ' ' MET . 43.1 m-85 -137.36 93.52 2.82 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.211 -0.931 . . . . 0.0 109.53 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' C ' ' CD ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -105.71 91.19 3.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 109.503 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.0 t -80.87 115.12 53.67 Favored Pre-proline 0 N--CA 1.491 1.625 0 O-C-N 121.299 -0.876 . . . . 0.0 109.39 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -78.69 -31.18 2.63 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.673 2.249 . . . . 0.0 112.285 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -50.35 -21.28 1.35 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -0.882 . . . . 0.0 109.514 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.664 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -125.75 -27.1 3.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.542 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.664 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER 87.23 54.33 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.355 -0.841 . . . . 0.0 109.41 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.06 150.21 35.54 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.221 -0.924 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.45 114.8 1.5 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 83.7 m -120.88 129.95 25.07 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.207 -1.172 . . . . 0.0 109.434 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -73.86 -4.3 15.19 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.625 2.216 . . . . 0.0 112.199 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -110.94 137.28 48.77 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.187 -0.946 . . . . 0.0 109.304 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.918 HD23 ' O ' ' A' ' 71' ' ' LEU . 5.6 tt -72.91 -30.79 64.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.363 -0.836 . . . . 0.0 109.433 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -50.83 69.97 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.328 -0.858 . . . . 0.0 109.366 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.2 -37.82 72.76 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.239 -0.913 . . . . 0.0 109.434 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 59' ' ' TYR . 44.6 ttp -76.83 -39.78 50.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 109.407 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -31.92 63.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.216 -0.927 . . . . 0.0 109.433 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.73 -27.8 64.24 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.227 -0.921 . . . . 0.0 109.459 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.777 ' NE2' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -79.24 -32.43 43.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.282 -0.886 . . . . 0.0 108.869 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.537 ' N ' ' HD1' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -61.39 -34.66 75.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.557 -0.714 . . . . 0.0 109.437 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -22.83 66.13 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.2 -0.938 . . . . 0.0 109.163 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.71 -13.56 56.59 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.777 ' CE1' ' NE2' ' A' ' 77' ' ' HIS . 1.2 m80 -96.48 167.86 10.9 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.267 -1.137 . . . . 0.0 109.413 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.442 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -119.56 162.09 34.25 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.188 -0.945 . . . . 0.0 109.476 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 56.2 Cg_exo -46.16 -51.53 8.45 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.715 2.277 . . . . 0.0 112.202 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -126.95 84.02 2.22 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.246 -0.909 . . . . 0.0 109.548 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -100.79 93.06 5.36 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.342 -0.849 . . . . 0.0 109.391 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 t -84.32 118.76 71.97 Favored Pre-proline 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.591 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.1 Cg_endo -78.07 -35.06 1.44 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.73 2.287 . . . . 0.0 112.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' PRO . 3.0 mt -40.81 -32.49 0.22 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.315 -0.866 . . . . 0.0 109.554 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.638 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.6 p -118.46 -25.19 6.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.0 109.439 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.638 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 86.02 65.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.367 -0.833 . . . . 0.0 109.331 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.84 159.24 32.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.369 -0.832 . . . . 0.0 109.55 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -139.72 139.18 9.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 4.3 m -143.12 130.19 10.75 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.218 -1.166 . . . . 0.0 109.391 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -73.06 -4.27 15.13 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.627 2.218 . . . . 0.0 112.24 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -108.9 137.38 46.91 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.228 -0.92 . . . . 0.0 109.424 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.9 tt -82.69 -37.11 25.24 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.281 -0.887 . . . . 0.0 109.462 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.9 -43.18 77.01 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.234 -0.916 . . . . 0.0 109.389 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.5 t -73.21 -40.08 65.02 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.178 -0.951 . . . . 0.0 109.407 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -28.56 64.38 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.298 -0.876 . . . . 0.0 109.502 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -67.27 -43.25 82.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.215 -0.928 . . . . 0.0 109.462 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.64 69.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.882 . . . . 0.0 109.417 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -35.92 41.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 108.786 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.14 -29.27 63.46 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.523 -0.736 . . . . 0.0 109.366 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -6.36 16.05 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.212 -0.93 . . . . 0.0 109.306 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -104.71 -10.64 32.51 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -110.12 4.27 20.99 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.309 -1.113 . . . . 0.0 109.483 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.501 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -100.49 158.87 31.12 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.254 -0.904 . . . . 0.0 109.444 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 72.8 Cg_exo -44.1 -54.59 3.74 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.9 2.4 . . . . 0.0 112.175 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 45.4 m-85 -129.87 86.65 2.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.148 -0.97 . . . . 0.0 109.499 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.477 HH12 ' HD2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -99.76 92.44 5.32 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.273 -0.892 . . . . 0.0 109.462 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.95 115.53 53.03 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.898 . . . . 0.0 109.406 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.3 Cg_endo -78.5 -30.36 3.22 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.676 2.251 . . . . 0.0 112.267 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 62' ' ' PRO . 37.2 mt -40.69 -39.94 1.19 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.254 -0.903 . . . . 0.0 109.645 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.622 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -125.16 -15.87 6.16 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.268 -0.895 . . . . 0.0 109.476 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.622 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 5.8 tpt180 84.97 84.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 0.0 109.454 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.36 156.43 32.3 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 109.497 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -134.94 125.34 3.7 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.1 p -132.21 128.27 21.23 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.283 -1.128 . . . . 0.0 109.445 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.32 -19.84 19.22 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 122.538 2.159 . . . . 0.0 112.253 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -100.05 137.22 38.8 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.227 -0.921 . . . . 0.0 109.311 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.837 HD23 ' O ' ' A' ' 71' ' ' LEU . 4.4 tt -68.9 -35.72 77.19 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.457 -0.777 . . . . 0.0 109.442 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.87 -44.87 70.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.27 -0.894 . . . . 0.0 109.374 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.1 m -64.32 -44.69 90.76 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.351 -0.843 . . . . 0.0 109.301 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.55 ' C ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -55.38 -52.89 62.04 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.313 -0.867 . . . . 0.0 109.399 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -61.36 -46.57 89.65 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.305 -0.872 . . . . 0.0 109.284 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.59 -26.38 43.53 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.313 -0.867 . . . . 0.0 109.321 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.421 ' ND1' ' C ' ' A' ' 77' ' ' HIS . 0.0 OUTLIER -78.96 -28.37 43.65 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.286 -0.884 . . . . 0.0 108.802 179.78 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.5 mmm -73.31 -30.4 63.36 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.54 -0.725 . . . . 0.0 109.504 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -17.86 64.82 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.931 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -100.78 -2.59 55.2 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.475 ' O ' ' OG ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -97.16 -18.59 19.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.355 -1.085 . . . . 0.0 109.504 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 81' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.534 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.355 0.598 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 60' ' ' ARG . . . -52.35 136.0 41.42 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.166 -0.959 . . . . 0.0 109.454 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -42.22 -30.31 1.35 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.692 2.261 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 17.7 m-85 -149.38 84.12 1.43 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.279 -0.888 . . . . 0.0 109.537 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 13.0 tpp180 -104.96 88.06 2.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.274 -0.891 . . . . 0.0 109.417 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.18 115.05 47.71 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 109.56 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -79.09 -27.54 4.43 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 122.686 2.257 . . . . 0.0 112.235 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.484 HD23 ' CE1' ' A' ' 81' ' ' HIS . 14.8 tp -46.36 -35.44 5.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.244 -0.91 . . . . 0.0 109.434 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.632 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.9 p -123.68 -17.14 6.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.423 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.632 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.74 80.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.282 -0.886 . . . . 0.0 109.398 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.32 148.94 23.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 109.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.29 121.5 2.2 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.6 m -139.43 132.68 15.57 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.242 -1.152 . . . . 0.0 109.48 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -72.98 -18.8 23.89 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.671 2.247 . . . . 0.0 112.294 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.67 137.42 34.76 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.156 -0.965 . . . . 0.0 109.434 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -79.12 -46.77 17.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.888 . . . . 0.0 109.431 179.845 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.77 -38.43 64.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.289 -0.882 . . . . 0.0 109.393 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 t -72.06 -37.72 69.61 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.263 -0.898 . . . . 0.0 109.347 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.537 ' SD ' ' O ' ' A' ' 74' ' ' MET . 4.4 tpp -71.26 -40.41 70.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.334 -0.854 . . . . 0.0 109.447 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -59.69 -35.8 75.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.254 -0.904 . . . . 0.0 109.412 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.95 -30.33 46.36 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.315 -0.865 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -79.03 -35.76 42.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.278 -0.889 . . . . 0.0 108.857 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -28.42 39.97 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.541 -0.725 . . . . 0.0 109.35 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -63.82 -15.98 60.14 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.231 -0.918 . . . . 0.0 109.146 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.26 -7.74 59.23 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.553 ' O ' ' C ' ' A' ' 82' ' ' SER . 2.8 m-70 -99.53 -82.94 0.43 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.315 -1.109 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 81' ' ' HIS . 11.3 m . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.43 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -115.01 164.68 16.01 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.204 -0.935 . . . . 0.0 109.477 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 55.3 Cg_exo -46.65 -55.89 3.43 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.816 2.344 . . . . 0.0 112.156 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CZ ' ' HG ' ' A' ' 71' ' ' LEU . 54.8 m-85 -124.13 97.15 5.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.311 -0.868 . . . . 0.0 109.421 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 90.34 3.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.332 -0.855 . . . . 0.0 109.315 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.548 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 28.4 p -80.57 115.09 52.9 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.278 -0.889 . . . . 0.0 109.467 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -78.89 -26.66 5.28 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.718 2.279 . . . . 0.0 112.318 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.1 mp -46.0 -38.07 7.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.355 -0.84 . . . . 0.0 109.495 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 14.0 p -121.6 -18.19 7.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.242 -0.911 . . . . 0.0 109.466 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.625 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 84.37 68.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -0.885 . . . . 0.0 109.454 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.43 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -144.36 148.87 35.27 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.2 -0.938 . . . . 0.0 109.454 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.58 127.43 4.29 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.7 t -142.24 129.52 11.3 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.311 -1.111 . . . . 0.0 109.371 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -73.63 -3.48 13.8 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.99 137.56 40.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.145 -0.972 . . . . 0.0 109.53 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.5 tt -83.69 -42.19 16.9 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.282 -0.886 . . . . 0.0 109.465 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.15 -57.31 12.71 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.307 -0.87 . . . . 0.0 109.567 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 t -55.55 -43.85 76.24 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.163 -0.961 . . . . 0.0 109.433 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.605 ' SD ' ' O ' ' A' ' 74' ' ' MET . 3.1 tpp -69.1 -35.95 77.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -61.71 -42.02 98.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.317 -0.864 . . . . 0.0 109.455 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.31 -34.03 76.8 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.477 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' ND1' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -79.26 -32.66 43.78 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.235 -0.916 . . . . 0.0 108.821 179.672 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -28.61 31.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.517 -0.739 . . . . 0.0 109.373 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -64.25 -19.41 65.36 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.269 -0.894 . . . . 0.0 109.235 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.89 2.69 64.34 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.515 ' CD2' ' CE1' ' A' ' 77' ' ' HIS . 0.3 OUTLIER -104.07 -28.91 11.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.245 -1.15 . . . . 0.0 109.541 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.987 -1.006 . . . . 0.0 109.495 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.08 156.72 37.83 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.339 -0.85 . . . . 0.0 109.467 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.13 -53.57 4.61 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.849 2.366 . . . . 0.0 112.157 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.508 ' CD1' ' SD ' ' A' ' 74' ' ' MET . 1.3 m-85 -126.0 84.07 2.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.29 -0.881 . . . . 0.0 109.401 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -97.62 92.05 5.71 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.282 -0.886 . . . . 0.0 109.544 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.7 t -71.71 114.99 33.23 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.233 -0.917 . . . . 0.0 109.416 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 63' ' ' LEU . 61.0 Cg_endo -78.87 -36.03 0.86 Allowed 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.694 2.263 . . . . 0.0 112.251 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 62' ' ' PRO . 2.1 mt -43.86 -33.04 1.22 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.88 . . . . 0.0 109.513 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -125.63 -17.83 5.39 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.237 -0.915 . . . . 0.0 109.331 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 79.94 72.47 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.326 -0.859 . . . . 0.0 109.255 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.89 158.6 43.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.275 -0.89 . . . . 0.0 109.303 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -135.08 124.08 3.29 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 2.7 m -140.6 126.56 11.57 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.272 -1.134 . . . . 0.0 109.277 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -73.82 -2.01 11.63 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.62 2.213 . . . . 0.0 112.264 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 t -113.92 137.28 51.89 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.258 -0.901 . . . . 0.0 109.274 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.9 tt -76.45 -37.67 56.59 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.0 109.456 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.79 -34.62 65.45 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.213 -0.929 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.08 -48.65 67.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.332 -0.855 . . . . 0.0 109.397 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 59' ' ' TYR . 0.6 OUTLIER -68.47 -41.16 80.55 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.333 -0.854 . . . . 0.0 109.376 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -37.6 81.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.474 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -32.08 73.62 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.217 -0.927 . . . . 0.0 109.448 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.502 ' NE2' ' CE1' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -79.23 -28.7 42.49 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.253 -0.905 . . . . 0.0 108.894 179.683 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.0 mmm -54.3 -28.61 43.27 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.451 -0.781 . . . . 0.0 109.469 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -65.37 -7.11 12.17 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 109.334 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -105.39 -7.75 36.74 Favored Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.502 ' CE1' ' NE2' ' A' ' 77' ' ' HIS . 1.4 m-70 -95.57 89.82 5.51 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.307 -1.114 . . . . 0.0 109.417 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -101.03 165.8 13.55 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.922 . . . . 0.0 109.48 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.604 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 76.5 Cg_exo -45.1 -65.73 0.18 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.906 2.404 . . . . 0.0 112.393 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.617 ' OH ' HD12 ' A' ' 71' ' ' LEU . 87.9 m-85 -105.1 99.26 8.88 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.246 -0.909 . . . . 0.0 109.623 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' O ' ' HD3' ' A' ' 62' ' ' PRO . 8.8 tpt180 -110.78 90.74 3.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.452 ' SG ' HD12 ' A' ' 63' ' ' LEU . 41.9 t -87.96 112.21 47.69 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.327 -0.858 . . . . 0.0 109.688 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' LEU . 72.9 Cg_endo -82.27 -26.83 2.59 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.747 2.298 . . . . 0.0 112.001 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 10.6 mt -42.33 -39.94 2.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.355 -0.841 . . . . 0.0 109.567 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.646 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -124.31 -11.45 7.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.237 -0.914 . . . . 0.0 109.343 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.646 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.8 OUTLIER 84.33 83.78 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.317 -0.864 . . . . 0.0 109.441 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.98 148.18 27.42 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.196 -0.94 . . . . 0.0 109.613 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -140.49 108.4 0.56 Allowed Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 131.68 16.39 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.231 -1.158 . . . . 0.0 109.44 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.23 -4.58 15.67 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.632 2.221 . . . . 0.0 112.31 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.21 137.51 39.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.212 -0.93 . . . . 0.0 109.361 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.617 HD12 ' OH ' ' A' ' 59' ' ' TYR . 2.3 tt -83.65 -43.0 16.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.312 -0.868 . . . . 0.0 109.475 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.25 77.21 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.287 -0.883 . . . . 0.0 109.54 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.2 m -73.56 -33.61 64.76 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.171 -0.956 . . . . 0.0 109.521 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.648 ' SD ' ' O ' ' A' ' 74' ' ' MET . 7.5 tpp -77.37 -42.75 35.32 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.155 -0.966 . . . . 0.0 109.393 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -44.52 91.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.198 -0.939 . . . . 0.0 109.4 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.46 51.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.278 -0.889 . . . . 0.0 109.379 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.491 ' CE1' ' SG ' ' A' ' 64' ' ' CYS . 8.6 t60 -79.51 -30.08 41.77 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.267 -0.895 . . . . 0.0 108.703 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.3 mmm -75.06 -34.26 61.8 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.553 -0.717 . . . . 0.0 109.475 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -16.56 64.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -0.921 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -110.09 -3.43 29.72 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.69 -26.13 8.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.26 -1.141 . . . . 0.0 109.456 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.455 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.617 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -70.22 166.45 34.04 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.235 -0.916 . . . . 0.0 109.468 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.617 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 60.7 Cg_exo -46.92 -69.86 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.863 2.376 . . . . 0.0 112.182 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -105.41 94.34 5.16 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 109.4 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.598 ' NH2' HH11 ' A' ' 65' ' ' ARG . 0.0 OUTLIER -106.41 90.67 3.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.322 -0.862 . . . . 0.0 109.515 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 115.02 43.1 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.308 -0.87 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -78.19 -37.56 0.76 Allowed 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.599 2.199 . . . . 0.0 112.191 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mt -47.29 -22.8 0.45 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.649 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 19.2 p -124.04 -28.28 3.77 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.292 -0.88 . . . . 0.0 109.42 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.649 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.2 OUTLIER 85.12 59.3 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 0.0 109.403 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -145.28 154.75 42.69 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.256 -0.903 . . . . 0.0 109.527 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -132.71 128.87 5.3 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.1 t -139.57 128.73 13.81 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.168 -1.195 . . . . 0.0 109.532 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.48 -16.58 21.55 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.629 2.219 . . . . 0.0 112.189 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.4 t -105.98 137.07 44.52 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.179 -0.95 . . . . 0.0 109.373 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.5 tt -79.96 -33.68 39.34 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.323 -0.861 . . . . 0.0 109.395 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.15 -51.61 63.77 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.528 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.3 m -72.89 -33.2 65.89 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.894 . . . . 0.0 109.559 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -37.4 87.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.53 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -64.79 -31.86 73.29 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.68 -34.73 78.98 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.262 -0.899 . . . . 0.0 109.46 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.431 ' CE1' ' ND1' ' A' ' 81' ' ' HIS . 0.9 OUTLIER -79.64 -35.27 39.62 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.201 -0.937 . . . . 0.0 108.63 179.574 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.0 mtp -64.28 -32.04 73.47 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.651 -0.656 . . . . 0.0 109.373 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -21.8 66.58 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.351 -0.843 . . . . 0.0 109.144 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.69 -13.15 65.49 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.431 ' ND1' ' CE1' ' A' ' 77' ' ' HIS . 2.4 p-80 -163.65 138.63 6.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.293 -1.122 . . . . 0.0 109.536 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.508 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.503 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -151.64 163.06 24.89 Favored Pre-proline 0 N--CA 1.489 1.509 0 O-C-N 121.186 -0.946 . . . . 0.0 109.519 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.503 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 54.1 Cg_exo -47.1 -73.36 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.731 2.287 . . . . 0.0 112.186 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.13 90.86 4.52 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.169 -0.957 . . . . 0.0 109.496 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.97 91.41 5.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.288 -0.883 . . . . 0.0 109.383 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.5 t -81.19 115.38 55.9 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 121.176 -0.953 . . . . 0.0 109.571 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -78.76 -36.89 0.71 Allowed 'Trans proline' 0 C--N 1.308 -1.59 0 C-N-CA 122.702 2.268 . . . . 0.0 112.196 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 mp -46.91 -29.36 1.98 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.372 -0.83 . . . . 0.0 109.515 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 1.7 p -116.1 -28.01 6.73 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.288 -0.883 . . . . 0.0 109.313 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.612 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 83.93 71.37 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.325 -0.859 . . . . 0.0 109.219 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -165.26 150.62 9.35 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.293 -0.879 . . . . 0.0 109.452 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -121.14 118.99 3.97 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.57 126.69 24.99 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.247 -1.149 . . . . 0.0 109.327 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -73.71 -14.55 24.42 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.644 2.229 . . . . 0.0 112.29 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.49 137.14 45.01 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.184 -0.948 . . . . 0.0 109.294 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.819 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.9 tt -83.57 -33.72 25.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.329 -0.857 . . . . 0.0 109.452 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.55 -43.15 68.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.34 -0.85 . . . . 0.0 109.443 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.3 p -68.14 -54.05 20.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 109.406 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 4.9 ttp -60.11 -34.19 73.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.209 -0.932 . . . . 0.0 109.486 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -60.44 -34.78 74.47 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.161 -0.962 . . . . 0.0 109.519 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.0 -27.88 66.94 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.218 -0.926 . . . . 0.0 109.434 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.456 ' ND1' ' N ' ' A' ' 78' ' ' MET . 0.0 OUTLIER -79.05 -28.61 43.21 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.213 -0.929 . . . . 0.0 108.917 179.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.456 ' N ' ' ND1' ' A' ' 77' ' ' HIS . 0.1 OUTLIER -53.21 -28.64 27.97 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.445 -0.784 . . . . 0.0 109.334 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -66.07 -18.0 65.06 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.418 -0.801 . . . . 0.0 109.317 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.64 -18.92 26.45 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.531 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -80.33 50.78 1.31 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.283 -1.128 . . . . 0.0 109.385 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 81' ' ' HIS . 11.0 m . . . . . 0 N--CA 1.49 1.531 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.483 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -178.69 163.83 1.09 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.549 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 85.6 Cg_exo -43.0 -41.48 9.1 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.062 2.508 . . . . 0.0 112.54 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -132.13 88.8 2.59 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.231 -0.918 . . . . 0.0 109.624 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -90.63 91.41 8.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.29 -0.881 . . . . 0.0 109.356 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.5 t -69.66 113.98 21.19 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.411 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -80.39 -35.3 0.63 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.19 -29.26 3.57 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.241 -0.912 . . . . 0.0 109.574 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.573 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -121.5 -21.45 6.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.897 . . . . 0.0 109.393 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.573 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 82.49 61.63 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.371 -0.831 . . . . 0.0 109.225 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.87 170.71 15.39 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.369 -0.832 . . . . 0.0 109.358 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.21 123.58 2.13 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.59 129.76 18.62 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.274 -1.133 . . . . 0.0 109.257 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -72.93 -1.36 10.36 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.581 2.187 . . . . 0.0 112.347 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.51 137.3 48.39 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.166 -0.959 . . . . 0.0 109.323 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -83.65 -42.27 16.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.337 -0.852 . . . . 0.0 109.483 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.21 -48.27 74.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.248 -0.907 . . . . 0.0 109.463 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -55.49 -47.67 75.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.321 -0.862 . . . . 0.0 109.407 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.555 ' C ' ' SD ' ' A' ' 74' ' ' MET . 5.8 tmm? -67.73 -46.99 70.58 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.264 -0.898 . . . . 0.0 109.374 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -41.04 80.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 0.0 109.411 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.58 -27.14 65.8 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.272 -0.892 . . . . 0.0 109.526 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.729 ' CE1' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -78.96 -28.5 43.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.32 -0.863 . . . . 0.0 108.827 179.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.9 mmm -60.57 -29.95 69.49 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.52 -0.737 . . . . 0.0 109.546 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.61 -16.76 62.87 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.223 -0.923 . . . . 0.0 109.413 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 82' ' ' SER . . . -118.65 1.3 15.68 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.529 -1.429 . . . . 0.0 109.529 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.729 ' CD2' ' CE1' ' A' ' 77' ' ' HIS . 0.2 OUTLIER -41.58 96.3 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.263 -1.139 . . . . 0.0 109.496 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.5 t . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.485 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 57' ' ' ALA . . . . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 58' ' ' PRO . . . -41.07 162.77 0.11 Allowed Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.218 -0.926 . . . . 0.0 109.381 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 87.3 Cg_exo -42.96 -52.89 4.36 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.868 2.379 . . . . 0.0 112.259 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 53.6 m-85 -125.86 80.83 1.94 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.236 -0.915 . . . . 0.0 109.391 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.419 ' HD2' HH11 ' A' ' 60' ' ' ARG . 9.1 tmm_? -88.98 92.96 9.44 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.354 -0.842 . . . . 0.0 109.395 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.2 t -77.36 114.04 36.83 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.283 -0.886 . . . . 0.0 109.531 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.498 ' O ' ' C ' ' A' ' 63' ' ' LEU . 71.6 Cg_endo -80.68 -33.52 0.88 Allowed 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.761 2.307 . . . . 0.0 112.223 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' A' ' 62' ' ' PRO . 20.2 mt -37.47 -39.5 0.31 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.0 109.705 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.645 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -128.33 -12.04 5.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.125 -0.984 . . . . 0.0 109.675 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.645 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER 85.22 97.63 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.273 -0.892 . . . . 0.0 109.421 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -168.36 156.11 8.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.908 . . . . 0.0 109.46 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -133.43 97.88 0.32 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 59' ' ' TYR . 3.7 m -104.0 119.46 54.26 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.26 -1.141 . . . . 0.0 109.283 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.83 -16.35 18.47 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.505 2.137 . . . . 0.0 112.382 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.28 137.31 40.71 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.137 -0.977 . . . . 0.0 109.32 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.763 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.2 tt -70.91 -41.57 71.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 0.0 109.363 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.49 -45.46 69.66 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.22 -0.925 . . . . 0.0 109.315 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -68.97 -34.42 75.29 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.265 -0.897 . . . . 0.0 109.208 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 13.0 tpt -65.68 -50.18 65.87 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.242 -0.911 . . . . 0.0 109.404 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -61.55 -45.27 94.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.253 -0.905 . . . . 0.0 109.331 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.47 -29.19 49.06 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.263 -0.898 . . . . 0.0 109.206 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.734 ' NE2' ' CD2' ' A' ' 81' ' ' HIS . 0.8 OUTLIER -79.09 -28.54 43.06 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.3 mmt -68.6 -28.5 66.98 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.571 -0.706 . . . . 0.0 109.39 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -30.1 71.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.265 -0.897 . . . . 0.0 108.974 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.38 -18.53 77.87 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.266 -1.533 . . . . 0.0 109.266 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.734 ' CD2' ' NE2' ' A' ' 77' ' ' HIS . 27.5 m-70 -84.83 -13.64 50.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.298 -1.119 . . . . 0.0 109.399 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.462 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.86 142.18 14.2 Favored Pre-proline 0 N--CA 1.489 1.503 0 O-C-N 121.214 -0.929 . . . . 0.0 109.455 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -42.08 -66.85 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.832 2.355 . . . . 0.0 112.391 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -106.04 97.38 7.2 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.278 -0.889 . . . . 0.0 109.713 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.03 90.58 3.64 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.358 -0.839 . . . . 0.0 109.256 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' A' ' 63' ' ' LEU . 39.4 t -82.18 114.06 48.23 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 0.0 109.572 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 63' ' ' LEU . 73.6 Cg_endo -80.92 -34.92 0.55 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.821 2.347 . . . . 0.0 112.304 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.634 HD12 ' SG ' ' A' ' 61' ' ' CYS . 0.8 OUTLIER -43.65 -33.88 1.32 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.334 -0.854 . . . . 0.0 109.736 -179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.647 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -117.73 -24.83 7.05 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.235 -0.915 . . . . 0.0 109.507 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.647 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.2 tpp85 85.97 82.88 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.378 -0.826 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -173.53 148.7 1.58 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.235 -0.916 . . . . 0.0 109.458 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -127.16 121.73 4.0 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 1.7 m -134.34 129.73 19.83 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.237 -1.155 . . . . 0.0 109.365 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -73.78 -0.71 9.77 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.623 2.216 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 m -107.71 137.55 45.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.18 -0.95 . . . . 0.0 109.325 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.85 HD23 ' O ' ' A' ' 71' ' ' LEU . 2.3 tt -78.38 -31.95 48.64 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.328 -0.857 . . . . 0.0 109.461 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.5 -52.89 58.14 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.241 -0.912 . . . . 0.0 109.37 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -42.3 98.38 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.311 -0.868 . . . . 0.0 109.355 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -62.75 -45.21 93.75 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.307 -0.871 . . . . 0.0 109.415 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -68.95 -41.63 77.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.298 -0.876 . . . . 0.0 109.402 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.88 -28.91 69.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.221 -0.924 . . . . 0.0 109.5 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.809 ' HE2' ' CD2' ' A' ' 81' ' ' HIS . 0.0 OUTLIER -79.48 -34.44 41.37 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.204 -0.935 . . . . 0.0 108.788 179.699 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.72 -28.73 67.58 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.58 -0.7 . . . . 0.0 109.565 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -66.64 -23.25 66.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.219 -0.926 . . . . 0.0 109.349 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 82' ' ' SER . . . -88.93 -10.55 66.51 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.809 ' CD2' ' HE2' ' A' ' 77' ' ' HIS . 1.8 m-70 -76.38 37.17 0.16 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.242 -1.152 . . . . 0.0 109.45 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 80' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.953 -1.023 . . . . 0.0 109.532 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_