data_2ih7_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 2ih7 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 21.2 p . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 117.442 2.386 . . . . 0.0 117.442 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -117.06 134.43 54.77 Favored 'General case' 0 CA--C 1.58 2.098 0 O-C-N 120.481 -1.387 . . . . 0.0 111.349 136.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.19 53.96 8.5 Favored Glycine 0 N--CA 1.503 3.126 0 N-CA-C 118.815 2.286 . . . . 0.0 118.815 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.487 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 30.2 t80 -175.37 149.84 1.16 Allowed Pre-proline 0 CA--C 1.592 2.575 0 C-N-CA 125.881 1.673 . . . . 0.0 108.519 -168.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.363 16.8 Cg_exo 19.49 -113.83 0.0 OUTLIER 'Trans proline' 0 CA--C 1.57 2.3 2 N-CA-C 123.549 4.403 . . . . 0.0 123.549 169.641 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -83.48 50.37 1.76 Allowed 'General case' 0 CA--C 1.581 2.157 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.4 p -149.55 167.84 25.19 Favored 'General case' 0 CA--C 1.571 1.764 0 O-C-N 119.753 -1.842 . . . . 0.0 114.525 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 . . . . . 0 CA--C 1.578 2.052 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 169.122 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.1 p . . . . . 0 N--CA 1.497 1.879 0 N-CA-C 116.312 1.968 . . . . 0.0 116.312 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.68 141.55 39.03 Favored 'General case' 0 CA--C 1.577 2.013 0 O-C-N 120.229 -1.544 . . . . 0.0 110.625 132.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.02 60.24 7.92 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 119.71 2.644 . . . . 0.0 119.71 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.512 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 21.0 t80 -176.03 142.33 0.61 Allowed Pre-proline 0 CA--C 1.592 2.56 0 C-N-CA 126.019 1.727 . . . . 0.0 107.803 -172.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.415 9.1 Cg_exo 30.03 -98.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 2.013 1 N-CA-C 123.087 4.226 . . . . 0.0 123.087 174.001 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.83 55.51 0.68 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 120.224 1.375 . . . . 0.0 114.39 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 p -143.95 162.95 34.84 Favored 'General case' 0 CA--C 1.57 1.734 0 O-C-N 121.002 -1.061 . . . . 0.0 112.605 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 . . . . . 0 CA--C 1.577 2.001 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 175.201 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 11.7 p . . . . . 0 CA--C 1.57 1.726 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 p -108.27 139.69 42.61 Favored 'General case' 0 CA--C 1.577 2.018 0 O-C-N 119.717 -1.865 . . . . 0.0 111.185 125.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.73 58.36 5.38 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 118.727 2.251 . . . . 0.0 118.727 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.488 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 17.5 t80 -178.81 148.05 0.55 Allowed Pre-proline 0 CA--C 1.59 2.481 0 C-N-CA 125.953 1.701 . . . . 0.0 108.7 -172.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.388 63.9 Cg_exo 19.53 -101.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.105 2 N-CA-C 123.84 4.516 . . . . 0.0 123.84 169.868 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -95.77 56.5 1.75 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.5 p -150.19 170.84 17.99 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.531 -1.356 . . . . 0.0 113.297 171.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 CA--C 1.576 1.963 0 N-CA-C 115.178 1.548 . . . . 0.0 115.178 166.161 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 12.2 p . . . . . 0 CA--C 1.573 1.847 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.9 p -114.51 151.29 33.56 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 120.574 -1.329 . . . . 0.0 111.219 132.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.19 41.91 94.59 Favored Glycine 0 N--CA 1.499 2.851 0 N-CA-C 119.331 2.492 . . . . 0.0 119.331 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.536 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 4.4 t80 -165.56 151.82 8.74 Favored Pre-proline 0 CA--C 1.585 2.302 0 C-N-CA 124.931 1.292 . . . . 0.0 110.081 -166.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.352 38.2 Cg_exo 13.18 -87.06 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.082 2 N-CA-C 124.869 4.911 . . . . 0.0 124.869 173.625 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -103.57 46.97 0.9 Allowed 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.19 144.5 22.13 Favored 'General case' 0 CA--C 1.57 1.745 0 O-C-N 120.348 -1.47 . . . . 0.0 114.096 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 . . . . . 0 CA--C 1.584 2.254 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 175.341 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 10.2 p . . . . . 0 CA--C 1.571 1.764 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p -118.04 132.84 56.34 Favored 'General case' 0 CA--C 1.576 1.958 0 O-C-N 120.038 -1.664 . . . . 0.0 109.51 133.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.32 56.39 5.18 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 118.453 2.141 . . . . 0.0 118.453 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.533 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -169.32 149.54 3.87 Favored Pre-proline 0 CA--C 1.59 2.508 0 C-N-CA 125.619 1.567 . . . . 0.0 108.822 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.315 83.8 Cg_exo 14.16 -79.1 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.062 2 N-CA-C 125.668 5.218 . . . . 0.0 125.668 172.339 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.3 mt -110.97 42.54 1.6 Allowed 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.5 p -146.2 153.08 40.21 Favored 'General case' 0 CA--C 1.562 1.421 0 O-C-N 120.639 -1.288 . . . . 0.0 112.69 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 . . . . . 0 CA--C 1.575 1.928 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 176.22 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.527 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.5 p . . . . . 0 CA--C 1.572 1.811 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 p -105.33 138.21 41.89 Favored 'General case' 0 CA--C 1.576 1.957 0 O-C-N 119.51 -1.994 . . . . 0.0 111.54 125.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.58 55.69 5.9 Favored Glycine 0 N--CA 1.499 2.833 0 N-CA-C 118.802 2.281 . . . . 0.0 118.802 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.527 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -170.66 149.06 2.85 Favored Pre-proline 0 CA--C 1.59 2.481 0 C-N-CA 125.672 1.589 . . . . 0.0 108.794 -178.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.327 58.7 Cg_exo 16.09 -85.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.043 2 N-CA-C 124.754 4.867 . . . . 0.0 124.754 170.855 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.1 mt -102.62 43.22 1.09 Allowed 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 p -149.93 152.68 35.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 119.844 -1.785 . . . . 0.0 113.447 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 . . . . . 0 CA--C 1.579 2.094 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 172.124 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.521 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.4 p . . . . . 0 CA--C 1.567 1.612 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 p -114.28 135.44 54.07 Favored 'General case' 0 CA--C 1.576 1.967 0 O-C-N 119.319 -2.113 . . . . 0.0 110.439 131.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.06 62.14 3.68 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 118.347 2.099 . . . . 0.0 118.347 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.521 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 1.4 t80 -175.69 151.21 1.21 Allowed Pre-proline 0 CA--C 1.591 2.53 0 C-N-CA 126.221 1.808 . . . . 0.0 108.706 -176.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.331 98.5 Cg_exo 11.92 -78.78 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.021 2 N-CA-C 124.879 4.915 . . . . 0.0 124.879 172.051 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.3 mt -112.55 58.48 0.64 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 119.143 0.883 . . . . 0.0 113.308 177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -156.81 161.15 39.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.436 -1.415 . . . . 0.0 112.95 173.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 . . . . . 0 CA--C 1.582 2.198 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 169.418 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 13.7 p . . . . . 0 CA--C 1.574 1.892 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -121.21 138.3 54.28 Favored 'General case' 0 CA--C 1.575 1.941 0 O-C-N 119.715 -1.865 . . . . 0.0 110.799 135.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.4 57.83 8.69 Favored Glycine 0 N--CA 1.5 2.901 0 N-CA-C 117.777 1.871 . . . . 0.0 117.777 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.505 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 16.3 t80 -173.8 138.34 0.73 Allowed Pre-proline 0 CA--C 1.587 2.391 0 C-N-CA 125.584 1.554 . . . . 0.0 107.738 -175.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.379 29.2 Cg_exo 28.83 -90.6 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 1.976 1 N-CA-C 123.916 4.545 . . . . 0.0 123.916 175.81 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.5 mt -84.71 -20.66 30.82 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.5 p -97.58 153.34 18.25 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -170.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 . . . . . 0 CA--C 1.579 2.06 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 174.549 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 5.8 p . . . . . 0 CA--C 1.575 1.921 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.2 p -108.51 144.61 35.93 Favored 'General case' 0 CA--C 1.582 2.183 0 O-C-N 119.092 -2.255 . . . . 0.0 112.102 122.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.9 55.48 13.8 Favored Glycine 0 N--CA 1.497 2.721 0 N-CA-C 119.243 2.457 . . . . 0.0 119.243 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.479 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 10.8 t80 -177.25 137.88 0.41 Allowed Pre-proline 0 CA--C 1.591 2.557 0 C-N-CA 125.988 1.715 . . . . 0.0 107.661 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.451 71.5 Cg_exo 28.02 -102.91 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.004 2 N-CA-C 123.207 4.272 . . . . 0.0 123.207 -179.116 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.38 -26.76 68.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 117.642 2.46 . . . . 0.0 117.642 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -95.4 150.05 20.71 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -165.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 . . . . . 0 CA--C 1.58 2.114 0 N-CA-C 116.258 1.948 . . . . 0.0 116.258 175.54 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.9 p . . . . . 0 CA--C 1.572 1.804 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.6 p -110.67 141.38 44.01 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 119.265 -2.147 . . . . 0.0 111.095 129.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.62 47.18 35.33 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 119.374 2.51 . . . . 0.0 119.374 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.532 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 6.6 t80 -169.44 141.09 1.94 Allowed Pre-proline 0 CA--C 1.592 2.59 0 CA-C-N 119.405 1.602 . . . . 0.0 108.824 -172.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.403 9.1 Cg_exo 29.87 -96.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.375 1.934 1 N-CA-C 123.665 4.448 . . . . 0.0 123.665 175.941 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 mt -80.25 -15.88 55.98 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.79 155.54 17.59 Favored 'General case' 0 CA--C 1.567 1.606 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -169.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 . . . . . 0 CA--C 1.58 2.1 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 168.721 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.3 p . . . . . 0 CA--C 1.572 1.805 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 p -115.21 135.28 54.34 Favored 'General case' 0 CA--C 1.58 2.128 0 O-C-N 119.356 -2.09 . . . . 0.0 110.831 129.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.67 53.72 7.14 Favored Glycine 0 N--CA 1.501 2.967 0 N-CA-C 118.882 2.313 . . . . 0.0 118.882 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.481 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 16.2 t80 -173.85 141.07 0.83 Allowed Pre-proline 0 CA--C 1.594 2.672 0 C-N-CA 126.105 1.762 . . . . 0.0 107.911 -177.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.431 86.3 Cg_exo 27.5 -100.77 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.142 2 N-CA-C 123.954 4.559 . . . . 0.0 123.954 176.457 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.72 -9.04 58.78 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -103.72 173.23 6.39 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -165.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 . . . . . 0 CA--C 1.576 1.961 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 178.491 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 6.8 p . . . . . 0 CA--C 1.573 1.839 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.0 p -116.42 130.78 56.95 Favored 'General case' 0 CA--C 1.571 1.787 0 O-C-N 118.94 -2.35 . . . . 0.0 110.839 129.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.29 63.11 3.05 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 117.481 1.752 . . . . 0.0 117.481 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.473 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 1.6 t80 -176.32 142.18 0.58 Allowed Pre-proline 0 CA--C 1.592 2.579 0 C-N-CA 126.797 2.039 . . . . 0.0 107.505 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.408 57.3 Cg_exo 25.3 -108.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 2 N-CA-C 122.928 4.164 . . . . 0.0 122.928 176.394 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.8 mt -87.88 18.0 4.46 Favored 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -176.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.8 p -112.67 161.82 16.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.368 -1.458 . . . . 0.0 114.475 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 . . . . . 0 CA--C 1.581 2.156 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 171.063 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 11.7 p . . . . . 0 CA--C 1.57 1.718 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 p -113.98 141.02 47.92 Favored 'General case' 0 CA--C 1.578 2.026 0 O-C-N 120.423 -1.423 . . . . 0.0 111.082 130.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.04 36.16 64.45 Favored Glycine 0 N--CA 1.503 3.14 0 N-CA-C 120.303 2.881 . . . . 0.0 120.303 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.422 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -153.17 147.58 19.06 Favored Pre-proline 0 CA--C 1.587 2.397 0 C-N-CA 125.843 1.657 . . . . 0.0 107.914 -177.264 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.397 29.8 Cg_exo 23.57 -97.82 0.0 OUTLIER 'Trans proline' 0 CA--C 1.57 2.309 1 N-CA-C 123.457 4.368 . . . . 0.0 123.457 175.478 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.5 mt -105.32 78.72 1.4 Allowed 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 120.426 1.466 . . . . 0.0 112.629 173.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -163.73 157.41 19.08 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 122.235 1.017 . . . . 0.0 112.828 171.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 . . . . . 0 CA--C 1.575 1.921 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 171.39 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.483 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.0 p . . . . . 0 CA--C 1.573 1.827 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p -109.48 148.04 31.86 Favored 'General case' 0 CA--C 1.581 2.137 0 O-C-N 119.827 -1.796 . . . . 0.0 111.069 125.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.47 48.61 71.72 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 119.363 2.505 . . . . 0.0 119.363 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.483 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 5.9 t80 -167.49 145.62 4.01 Favored Pre-proline 0 CA--C 1.587 2.385 0 C-N-CA 125.463 1.505 . . . . 0.0 108.449 -178.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.402 74.9 Cg_exo 21.93 -107.97 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.068 2 N-CA-C 122.823 4.124 . . . . 0.0 122.823 174.417 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.86 57.39 4.12 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.07 158.82 44.56 Favored 'General case' 0 CA--C 1.565 1.556 0 O-C-N 120.918 -1.114 . . . . 0.0 112.428 167.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 . . . . . 0 CA--C 1.579 2.074 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 171.332 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 6.9 p . . . . . 0 CA--C 1.574 1.879 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.3 p -106.1 141.72 37.0 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 118.547 -2.595 . . . . 0.0 111.701 126.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.11 46.75 26.62 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 120.141 2.816 . . . . 0.0 120.141 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.513 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 2.9 t80 -167.77 142.23 2.98 Favored Pre-proline 0 CA--C 1.585 2.316 0 C-N-CA 125.393 1.477 . . . . 0.0 107.798 -176.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.374 17.6 Cg_exo 28.1 -109.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.374 1.914 0 N-CA-C 122.28 3.916 . . . . 0.0 122.28 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.42 44.72 1.2 Allowed 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 p -143.32 151.01 39.99 Favored 'General case' 0 CA--C 1.565 1.521 0 O-C-N 120.463 -1.398 . . . . 0.0 111.56 167.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 . . . . . 0 CA--C 1.576 1.98 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 174.496 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.492 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.253 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.798 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.492 ' SG ' HG23 ' A' ' 1' ' ' VAL . 21.2 p -151.89 -175.64 5.31 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 117.442 2.386 . . . . 0.0 117.442 -149.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -117.06 134.43 54.77 Favored 'General case' 0 CA--C 1.58 2.098 0 O-C-N 120.481 -1.387 . . . . 0.0 111.349 136.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.19 53.96 8.5 Favored Glycine 0 N--CA 1.503 3.126 0 N-CA-C 118.815 2.286 . . . . 0.0 118.815 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.487 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 30.2 t80 -175.37 149.84 1.16 Allowed Pre-proline 0 CA--C 1.592 2.575 0 C-N-CA 125.881 1.673 . . . . 0.0 108.519 -168.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.363 16.8 Cg_exo 19.49 -113.83 0.0 OUTLIER 'Trans proline' 0 CA--C 1.57 2.3 2 N-CA-C 123.549 4.403 . . . . 0.0 123.549 169.641 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -83.48 50.37 1.76 Allowed 'General case' 0 CA--C 1.581 2.157 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.4 p -149.55 167.84 25.19 Favored 'General case' 0 CA--C 1.571 1.764 0 O-C-N 119.753 -1.842 . . . . 0.0 114.525 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -83.32 155.29 23.65 Favored 'General case' 0 CA--C 1.578 2.052 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 169.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -74.38 149.51 40.49 Favored 'General case' 0 CA--C 1.567 1.628 0 CA-C-O 123.455 1.598 . . . . 0.0 115.226 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.853 0 O-C-N 117.43 -3.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.451 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.277 2.6 m . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.1 p -155.34 -174.4 4.96 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 116.312 1.968 . . . . 0.0 116.312 -151.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.68 141.55 39.03 Favored 'General case' 0 CA--C 1.577 2.013 0 O-C-N 120.229 -1.544 . . . . 0.0 110.625 132.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.02 60.24 7.92 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 119.71 2.644 . . . . 0.0 119.71 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.512 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 21.0 t80 -176.03 142.33 0.61 Allowed Pre-proline 0 CA--C 1.592 2.56 0 C-N-CA 126.019 1.727 . . . . 0.0 107.803 -172.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.415 9.1 Cg_exo 30.03 -98.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 2.013 1 N-CA-C 123.087 4.226 . . . . 0.0 123.087 174.001 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.83 55.51 0.68 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 120.224 1.375 . . . . 0.0 114.39 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 p -143.95 162.95 34.84 Favored 'General case' 0 CA--C 1.57 1.734 0 O-C-N 121.002 -1.061 . . . . 0.0 112.605 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -85.13 149.98 25.16 Favored 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.1 m -68.26 134.24 50.07 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.063 0 O-C-N 117.322 -3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.462 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.253 3.4 m . . . . . 0 N--CA 1.494 1.733 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 11.7 p -152.07 -178.42 6.76 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 -157.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 p -108.27 139.69 42.61 Favored 'General case' 0 CA--C 1.577 2.018 0 O-C-N 119.717 -1.865 . . . . 0.0 111.185 125.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.73 58.36 5.38 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 118.727 2.251 . . . . 0.0 118.727 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.488 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 17.5 t80 -178.81 148.05 0.55 Allowed Pre-proline 0 CA--C 1.59 2.481 0 C-N-CA 125.953 1.701 . . . . 0.0 108.7 -172.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.388 63.9 Cg_exo 19.53 -101.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.105 2 N-CA-C 123.84 4.516 . . . . 0.0 123.84 169.868 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -95.77 56.5 1.75 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.5 p -150.19 170.84 17.99 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.531 -1.356 . . . . 0.0 113.297 171.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -76.7 155.03 33.62 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 115.178 1.548 . . . . 0.0 115.178 166.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.9 m -76.85 146.94 37.42 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 123.118 1.437 . . . . 0.0 113.375 166.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.896 0 O-C-N 117.146 -3.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.456 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.317 4.1 m . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 12.2 p -148.02 -169.71 3.4 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 -146.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.9 p -114.51 151.29 33.56 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 120.574 -1.329 . . . . 0.0 111.219 132.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.19 41.91 94.59 Favored Glycine 0 N--CA 1.499 2.851 0 N-CA-C 119.331 2.492 . . . . 0.0 119.331 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.536 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 4.4 t80 -165.56 151.82 8.74 Favored Pre-proline 0 CA--C 1.585 2.302 0 C-N-CA 124.931 1.292 . . . . 0.0 110.081 -166.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.352 38.2 Cg_exo 13.18 -87.06 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.082 2 N-CA-C 124.869 4.911 . . . . 0.0 124.869 173.625 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -103.57 46.97 0.9 Allowed 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.19 144.5 22.13 Favored 'General case' 0 CA--C 1.57 1.745 0 O-C-N 120.348 -1.47 . . . . 0.0 114.096 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -64.35 158.67 22.94 Favored 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.7 m -75.3 128.25 34.98 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.005 0 O-C-N 117.001 -3.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.511 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.269 6.2 m . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 10.2 p -151.25 -169.74 3.46 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -159.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p -118.04 132.84 56.34 Favored 'General case' 0 CA--C 1.576 1.958 0 O-C-N 120.038 -1.664 . . . . 0.0 109.51 133.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.32 56.39 5.18 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 118.453 2.141 . . . . 0.0 118.453 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.533 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -169.32 149.54 3.87 Favored Pre-proline 0 CA--C 1.59 2.508 0 C-N-CA 125.619 1.567 . . . . 0.0 108.822 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.315 83.8 Cg_exo 14.16 -79.1 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.062 2 N-CA-C 125.668 5.218 . . . . 0.0 125.668 172.339 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.3 mt -110.97 42.54 1.6 Allowed 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.5 p -146.2 153.08 40.21 Favored 'General case' 0 CA--C 1.562 1.421 0 O-C-N 120.639 -1.288 . . . . 0.0 112.69 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -71.88 159.14 34.79 Favored 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.56 144.51 57.16 Favored 'General case' 0 CA--C 1.57 1.723 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.944 0 O-C-N 117.903 -2.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.523 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.256 13.1 m . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.527 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.5 p -158.03 -178.78 7.55 Favored 'General case' 0 CA--C 1.572 1.811 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -162.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 p -105.33 138.21 41.89 Favored 'General case' 0 CA--C 1.576 1.957 0 O-C-N 119.51 -1.994 . . . . 0.0 111.54 125.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.58 55.69 5.9 Favored Glycine 0 N--CA 1.499 2.833 0 N-CA-C 118.802 2.281 . . . . 0.0 118.802 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.527 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -170.66 149.06 2.85 Favored Pre-proline 0 CA--C 1.59 2.481 0 C-N-CA 125.672 1.589 . . . . 0.0 108.794 -178.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.327 58.7 Cg_exo 16.09 -85.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.043 2 N-CA-C 124.754 4.867 . . . . 0.0 124.754 170.855 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.1 mt -102.62 43.22 1.09 Allowed 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 p -149.93 152.68 35.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 119.844 -1.785 . . . . 0.0 113.447 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -65.17 154.84 36.83 Favored 'General case' 0 CA--C 1.579 2.094 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 172.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.2 m -73.51 140.96 46.74 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 123.21 1.481 . . . . 0.0 113.776 170.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.971 0 O-C-N 117.562 -3.211 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.429 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.292 5.1 m . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.521 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.4 p -140.28 -174.42 3.94 Favored 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 -154.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 p -114.28 135.44 54.07 Favored 'General case' 0 CA--C 1.576 1.967 0 O-C-N 119.319 -2.113 . . . . 0.0 110.439 131.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.06 62.14 3.68 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 118.347 2.099 . . . . 0.0 118.347 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.521 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 1.4 t80 -175.69 151.21 1.21 Allowed Pre-proline 0 CA--C 1.591 2.53 0 C-N-CA 126.221 1.808 . . . . 0.0 108.706 -176.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.331 98.5 Cg_exo 11.92 -78.78 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.021 2 N-CA-C 124.879 4.915 . . . . 0.0 124.879 172.051 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.3 mt -112.55 58.48 0.64 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 119.143 0.883 . . . . 0.0 113.308 177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -156.81 161.15 39.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.436 -1.415 . . . . 0.0 112.95 173.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -80.05 161.14 25.54 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 169.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -72.81 149.18 43.82 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.893 0 O-C-N 116.972 -3.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.427 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.289 1.7 m . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 13.7 p -150.37 -167.41 2.81 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 -149.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -121.21 138.3 54.28 Favored 'General case' 0 CA--C 1.575 1.941 0 O-C-N 119.715 -1.865 . . . . 0.0 110.799 135.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.4 57.83 8.69 Favored Glycine 0 N--CA 1.5 2.901 0 N-CA-C 117.777 1.871 . . . . 0.0 117.777 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.505 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 16.3 t80 -173.8 138.34 0.73 Allowed Pre-proline 0 CA--C 1.587 2.391 0 C-N-CA 125.584 1.554 . . . . 0.0 107.738 -175.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.379 29.2 Cg_exo 28.83 -90.6 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 1.976 1 N-CA-C 123.916 4.545 . . . . 0.0 123.916 175.81 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.5 mt -84.71 -20.66 30.82 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.5 p -97.58 153.34 18.25 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -170.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -69.44 154.83 41.41 Favored 'General case' 0 CA--C 1.579 2.06 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 79.6 m -57.35 117.05 3.71 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.86 0 O-C-N 117.861 -3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.454 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.288 3.0 m . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 5.8 p -143.15 -163.65 1.68 Allowed 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -155.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.2 p -108.51 144.61 35.93 Favored 'General case' 0 CA--C 1.582 2.183 0 O-C-N 119.092 -2.255 . . . . 0.0 112.102 122.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.9 55.48 13.8 Favored Glycine 0 N--CA 1.497 2.721 0 N-CA-C 119.243 2.457 . . . . 0.0 119.243 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.479 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 10.8 t80 -177.25 137.88 0.41 Allowed Pre-proline 0 CA--C 1.591 2.557 0 C-N-CA 125.988 1.715 . . . . 0.0 107.661 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.451 71.5 Cg_exo 28.02 -102.91 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.004 2 N-CA-C 123.207 4.272 . . . . 0.0 123.207 -179.116 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.38 -26.76 68.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 117.642 2.46 . . . . 0.0 117.642 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -95.4 150.05 20.71 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -165.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -63.84 148.7 48.72 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 116.258 1.948 . . . . 0.0 116.258 175.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.27 145.41 55.59 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.831 0 O-C-N 117.665 -3.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.544 HG23 ' SG ' ' A' ' 2' ' ' CYS . 3.6 m . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.544 ' SG ' HG23 ' A' ' 1' ' ' VAL . 8.9 p -155.21 -169.58 3.21 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -156.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.6 p -110.67 141.38 44.01 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 119.265 -2.147 . . . . 0.0 111.095 129.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.62 47.18 35.33 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 119.374 2.51 . . . . 0.0 119.374 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.532 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 6.6 t80 -169.44 141.09 1.94 Allowed Pre-proline 0 CA--C 1.592 2.59 0 CA-C-N 119.405 1.602 . . . . 0.0 108.824 -172.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.403 9.1 Cg_exo 29.87 -96.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.375 1.934 1 N-CA-C 123.665 4.448 . . . . 0.0 123.665 175.941 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 mt -80.25 -15.88 55.98 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.79 155.54 17.59 Favored 'General case' 0 CA--C 1.567 1.606 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -169.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -61.06 144.61 53.14 Favored 'General case' 0 CA--C 1.58 2.1 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 168.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.1 m -69.23 143.69 53.89 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.815 0 O-C-N 117.411 -3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.456 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.291 3.6 m . . . . . 0 CA--C 1.569 1.702 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.3 p -133.19 -163.21 1.32 Allowed 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -151.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 p -115.21 135.28 54.34 Favored 'General case' 0 CA--C 1.58 2.128 0 O-C-N 119.356 -2.09 . . . . 0.0 110.831 129.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.67 53.72 7.14 Favored Glycine 0 N--CA 1.501 2.967 0 N-CA-C 118.882 2.313 . . . . 0.0 118.882 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.481 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 16.2 t80 -173.85 141.07 0.83 Allowed Pre-proline 0 CA--C 1.594 2.672 0 C-N-CA 126.105 1.762 . . . . 0.0 107.911 -177.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.431 86.3 Cg_exo 27.5 -100.77 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.142 2 N-CA-C 123.954 4.559 . . . . 0.0 123.954 176.457 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.72 -9.04 58.78 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -103.72 173.23 6.39 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -165.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -76.87 157.51 31.4 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.7 m -60.03 -51.54 69.2 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.763 0 O-C-N 116.803 -3.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.51 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.27 2.2 m . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.51 ' SG ' HG23 ' A' ' 1' ' ' VAL . 6.8 p -152.05 -166.36 2.47 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -160.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.0 p -116.42 130.78 56.95 Favored 'General case' 0 CA--C 1.571 1.787 0 O-C-N 118.94 -2.35 . . . . 0.0 110.839 129.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.29 63.11 3.05 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 117.481 1.752 . . . . 0.0 117.481 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.473 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 1.6 t80 -176.32 142.18 0.58 Allowed Pre-proline 0 CA--C 1.592 2.579 0 C-N-CA 126.797 2.039 . . . . 0.0 107.505 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.408 57.3 Cg_exo 25.3 -108.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 2 N-CA-C 122.928 4.164 . . . . 0.0 122.928 176.394 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.8 mt -87.88 18.0 4.46 Favored 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -176.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.8 p -112.67 161.82 16.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.368 -1.458 . . . . 0.0 114.475 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -69.21 152.29 45.26 Favored 'General case' 0 CA--C 1.581 2.156 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 171.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.5 m -61.78 -49.14 77.55 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.848 0 O-C-N 117.568 -3.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.462 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.296 3.3 m . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.462 ' SG ' HG23 ' A' ' 1' ' ' VAL . 11.7 p -149.32 -170.99 3.78 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 -152.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 p -113.98 141.02 47.92 Favored 'General case' 0 CA--C 1.578 2.026 0 O-C-N 120.423 -1.423 . . . . 0.0 111.082 130.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.04 36.16 64.45 Favored Glycine 0 N--CA 1.503 3.14 0 N-CA-C 120.303 2.881 . . . . 0.0 120.303 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.422 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -153.17 147.58 19.06 Favored Pre-proline 0 CA--C 1.587 2.397 0 C-N-CA 125.843 1.657 . . . . 0.0 107.914 -177.264 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.397 29.8 Cg_exo 23.57 -97.82 0.0 OUTLIER 'Trans proline' 0 CA--C 1.57 2.309 1 N-CA-C 123.457 4.368 . . . . 0.0 123.457 175.478 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.5 mt -105.32 78.72 1.4 Allowed 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 120.426 1.466 . . . . 0.0 112.629 173.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -163.73 157.41 19.08 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 122.235 1.017 . . . . 0.0 112.828 171.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -62.7 155.96 24.96 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 171.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.9 m -68.02 -47.76 67.55 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.854 0 O-C-N 117.168 -3.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.436 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.309 3.6 m . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 120.754 0.312 . . . . 0.0 111.747 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.483 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.0 p -137.77 -167.58 2.17 Favored 'General case' 0 CA--C 1.573 1.827 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -153.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p -109.48 148.04 31.86 Favored 'General case' 0 CA--C 1.581 2.137 0 O-C-N 119.827 -1.796 . . . . 0.0 111.069 125.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.47 48.61 71.72 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 119.363 2.505 . . . . 0.0 119.363 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.483 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 5.9 t80 -167.49 145.62 4.01 Favored Pre-proline 0 CA--C 1.587 2.385 0 C-N-CA 125.463 1.505 . . . . 0.0 108.449 -178.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.402 74.9 Cg_exo 21.93 -107.97 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.068 2 N-CA-C 122.823 4.124 . . . . 0.0 122.823 174.417 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.86 57.39 4.12 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.07 158.82 44.56 Favored 'General case' 0 CA--C 1.565 1.556 0 O-C-N 120.918 -1.114 . . . . 0.0 112.428 167.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -70.4 150.36 46.34 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 171.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.4 m -70.15 -57.22 5.18 Favored 'General case' 0 CA--C 1.575 1.915 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 173.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.746 0 O-C-N 116.436 -3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.482 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.286 3.5 m . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 6.9 p -157.27 -170.53 3.28 Favored 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -159.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.3 p -106.1 141.72 37.0 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 118.547 -2.595 . . . . 0.0 111.701 126.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.11 46.75 26.62 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 120.141 2.816 . . . . 0.0 120.141 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.513 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 2.9 t80 -167.77 142.23 2.98 Favored Pre-proline 0 CA--C 1.585 2.316 0 C-N-CA 125.393 1.477 . . . . 0.0 107.798 -176.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.374 17.6 Cg_exo 28.1 -109.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.374 1.914 0 N-CA-C 122.28 3.916 . . . . 0.0 122.28 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.42 44.72 1.2 Allowed 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 p -143.32 151.01 39.99 Favored 'General case' 0 CA--C 1.565 1.521 0 O-C-N 120.463 -1.398 . . . . 0.0 111.56 167.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -74.71 151.84 39.17 Favored 'General case' 0 CA--C 1.576 1.98 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.0 m -73.18 -53.75 10.17 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 166.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.651 0 O-C-N 117.425 -3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 21.2 p . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 117.442 2.386 . . . . 0.0 117.442 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -117.06 134.43 54.77 Favored 'General case' 0 CA--C 1.58 2.098 0 O-C-N 120.481 -1.387 . . . . 0.0 111.349 136.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.19 53.96 8.5 Favored Glycine 0 N--CA 1.503 3.126 0 N-CA-C 118.815 2.286 . . . . 0.0 118.815 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.537 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 30.2 t80 -175.37 149.84 1.16 Allowed Pre-proline 0 CA--C 1.592 2.575 0 C-N-CA 125.881 1.673 . . . . 0.0 108.519 -168.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.363 16.8 Cg_exo 19.49 -113.83 0.0 OUTLIER 'Trans proline' 0 CA--C 1.57 2.3 2 N-CA-C 123.549 4.403 . . . . 0.0 123.549 169.641 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -83.48 50.37 1.76 Allowed 'General case' 0 CA--C 1.581 2.157 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.4 p -149.55 167.84 25.19 Favored 'General case' 0 CA--C 1.571 1.764 0 O-C-N 119.753 -1.842 . . . . 0.0 114.525 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 . . . . . 0 CA--C 1.578 2.052 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 169.122 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.1 p . . . . . 0 N--CA 1.497 1.879 0 N-CA-C 116.312 1.968 . . . . 0.0 116.312 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.68 141.55 39.03 Favored 'General case' 0 CA--C 1.577 2.013 0 O-C-N 120.229 -1.544 . . . . 0.0 110.625 132.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.02 60.24 7.92 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 119.71 2.644 . . . . 0.0 119.71 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.56 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 21.0 t80 -176.03 142.33 0.61 Allowed Pre-proline 0 CA--C 1.592 2.56 0 C-N-CA 126.019 1.727 . . . . 0.0 107.803 -172.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.415 9.1 Cg_exo 30.03 -98.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 2.013 1 N-CA-C 123.087 4.226 . . . . 0.0 123.087 174.001 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.83 55.51 0.68 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 120.224 1.375 . . . . 0.0 114.39 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 p -143.95 162.95 34.84 Favored 'General case' 0 CA--C 1.57 1.734 0 O-C-N 121.002 -1.061 . . . . 0.0 112.605 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 . . . . . 0 CA--C 1.577 2.001 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 175.201 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 11.7 p . . . . . 0 CA--C 1.57 1.726 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 p -108.27 139.69 42.61 Favored 'General case' 0 CA--C 1.577 2.018 0 O-C-N 119.717 -1.865 . . . . 0.0 111.185 125.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.73 58.36 5.38 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 118.727 2.251 . . . . 0.0 118.727 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.551 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 17.5 t80 -178.81 148.05 0.55 Allowed Pre-proline 0 CA--C 1.59 2.481 0 C-N-CA 125.953 1.701 . . . . 0.0 108.7 -172.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.388 63.9 Cg_exo 19.53 -101.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.105 2 N-CA-C 123.84 4.516 . . . . 0.0 123.84 169.868 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -95.77 56.5 1.75 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.5 p -150.19 170.84 17.99 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.531 -1.356 . . . . 0.0 113.297 171.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 CA--C 1.576 1.963 0 N-CA-C 115.178 1.548 . . . . 0.0 115.178 166.161 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 12.2 p . . . . . 0 CA--C 1.573 1.847 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.9 p -114.51 151.29 33.56 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 120.574 -1.329 . . . . 0.0 111.219 132.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.19 41.91 94.59 Favored Glycine 0 N--CA 1.499 2.851 0 N-CA-C 119.331 2.492 . . . . 0.0 119.331 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.593 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 4.4 t80 -165.56 151.82 8.74 Favored Pre-proline 0 CA--C 1.585 2.302 0 C-N-CA 124.931 1.292 . . . . 0.0 110.081 -166.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.352 38.2 Cg_exo 13.18 -87.06 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.082 2 N-CA-C 124.869 4.911 . . . . 0.0 124.869 173.625 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -103.57 46.97 0.9 Allowed 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.19 144.5 22.13 Favored 'General case' 0 CA--C 1.57 1.745 0 O-C-N 120.348 -1.47 . . . . 0.0 114.096 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 . . . . . 0 CA--C 1.584 2.254 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 175.341 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.6 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 10.2 p . . . . . 0 CA--C 1.571 1.764 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p -118.04 132.84 56.34 Favored 'General case' 0 CA--C 1.576 1.958 0 O-C-N 120.038 -1.664 . . . . 0.0 109.51 133.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.32 56.39 5.18 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 118.453 2.141 . . . . 0.0 118.453 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.6 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -169.32 149.54 3.87 Favored Pre-proline 0 CA--C 1.59 2.508 0 C-N-CA 125.619 1.567 . . . . 0.0 108.822 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.315 83.8 Cg_exo 14.16 -79.1 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.062 2 N-CA-C 125.668 5.218 . . . . 0.0 125.668 172.339 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.3 mt -110.97 42.54 1.6 Allowed 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.5 p -146.2 153.08 40.21 Favored 'General case' 0 CA--C 1.562 1.421 0 O-C-N 120.639 -1.288 . . . . 0.0 112.69 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 . . . . . 0 CA--C 1.575 1.928 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 176.22 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.5 p . . . . . 0 CA--C 1.572 1.811 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 p -105.33 138.21 41.89 Favored 'General case' 0 CA--C 1.576 1.957 0 O-C-N 119.51 -1.994 . . . . 0.0 111.54 125.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.58 55.69 5.9 Favored Glycine 0 N--CA 1.499 2.833 0 N-CA-C 118.802 2.281 . . . . 0.0 118.802 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.582 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -170.66 149.06 2.85 Favored Pre-proline 0 CA--C 1.59 2.481 0 C-N-CA 125.672 1.589 . . . . 0.0 108.794 -178.726 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.327 58.7 Cg_exo 16.09 -85.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.043 2 N-CA-C 124.754 4.867 . . . . 0.0 124.754 170.855 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.1 mt -102.62 43.22 1.09 Allowed 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 p -149.93 152.68 35.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 119.844 -1.785 . . . . 0.0 113.447 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 . . . . . 0 CA--C 1.579 2.094 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 172.124 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.4 p . . . . . 0 CA--C 1.567 1.612 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 p -114.28 135.44 54.07 Favored 'General case' 0 CA--C 1.576 1.967 0 O-C-N 119.319 -2.113 . . . . 0.0 110.439 131.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.06 62.14 3.68 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 118.347 2.099 . . . . 0.0 118.347 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.58 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 1.4 t80 -175.69 151.21 1.21 Allowed Pre-proline 0 CA--C 1.591 2.53 0 C-N-CA 126.221 1.808 . . . . 0.0 108.706 -176.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.331 98.5 Cg_exo 11.92 -78.78 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.021 2 N-CA-C 124.879 4.915 . . . . 0.0 124.879 172.051 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.3 mt -112.55 58.48 0.64 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 119.143 0.883 . . . . 0.0 113.308 177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -156.81 161.15 39.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.436 -1.415 . . . . 0.0 112.95 173.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 . . . . . 0 CA--C 1.582 2.198 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 169.418 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 13.7 p . . . . . 0 CA--C 1.574 1.892 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -121.21 138.3 54.28 Favored 'General case' 0 CA--C 1.575 1.941 0 O-C-N 119.715 -1.865 . . . . 0.0 110.799 135.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.4 57.83 8.69 Favored Glycine 0 N--CA 1.5 2.901 0 N-CA-C 117.777 1.871 . . . . 0.0 117.777 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.552 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 16.3 t80 -173.8 138.34 0.73 Allowed Pre-proline 0 CA--C 1.587 2.391 0 C-N-CA 125.584 1.554 . . . . 0.0 107.738 -175.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.379 29.2 Cg_exo 28.83 -90.6 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 1.976 1 N-CA-C 123.916 4.545 . . . . 0.0 123.916 175.81 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.5 mt -84.71 -20.66 30.82 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.5 p -97.58 153.34 18.25 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -170.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 . . . . . 0 CA--C 1.579 2.06 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 174.549 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.521 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 5.8 p . . . . . 0 CA--C 1.575 1.921 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.2 p -108.51 144.61 35.93 Favored 'General case' 0 CA--C 1.582 2.183 0 O-C-N 119.092 -2.255 . . . . 0.0 112.102 122.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.9 55.48 13.8 Favored Glycine 0 N--CA 1.497 2.721 0 N-CA-C 119.243 2.457 . . . . 0.0 119.243 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.521 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 10.8 t80 -177.25 137.88 0.41 Allowed Pre-proline 0 CA--C 1.591 2.557 0 C-N-CA 125.988 1.715 . . . . 0.0 107.661 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.451 71.5 Cg_exo 28.02 -102.91 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.004 2 N-CA-C 123.207 4.272 . . . . 0.0 123.207 -179.116 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.38 -26.76 68.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 117.642 2.46 . . . . 0.0 117.642 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -95.4 150.05 20.71 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -165.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 . . . . . 0 CA--C 1.58 2.114 0 N-CA-C 116.258 1.948 . . . . 0.0 116.258 175.54 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.9 p . . . . . 0 CA--C 1.572 1.804 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.6 p -110.67 141.38 44.01 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 119.265 -2.147 . . . . 0.0 111.095 129.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.62 47.18 35.33 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 119.374 2.51 . . . . 0.0 119.374 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.589 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 6.6 t80 -169.44 141.09 1.94 Allowed Pre-proline 0 CA--C 1.592 2.59 0 CA-C-N 119.405 1.602 . . . . 0.0 108.824 -172.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.403 9.1 Cg_exo 29.87 -96.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.375 1.934 1 N-CA-C 123.665 4.448 . . . . 0.0 123.665 175.941 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 mt -80.25 -15.88 55.98 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.79 155.54 17.59 Favored 'General case' 0 CA--C 1.567 1.606 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -169.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 . . . . . 0 CA--C 1.58 2.1 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 168.721 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.3 p . . . . . 0 CA--C 1.572 1.805 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 p -115.21 135.28 54.34 Favored 'General case' 0 CA--C 1.58 2.128 0 O-C-N 119.356 -2.09 . . . . 0.0 110.831 129.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.67 53.72 7.14 Favored Glycine 0 N--CA 1.501 2.967 0 N-CA-C 118.882 2.313 . . . . 0.0 118.882 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.546 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 16.2 t80 -173.85 141.07 0.83 Allowed Pre-proline 0 CA--C 1.594 2.672 0 C-N-CA 126.105 1.762 . . . . 0.0 107.911 -177.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.431 86.3 Cg_exo 27.5 -100.77 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.142 2 N-CA-C 123.954 4.559 . . . . 0.0 123.954 176.457 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.72 -9.04 58.78 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -103.72 173.23 6.39 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -165.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 . . . . . 0 CA--C 1.576 1.961 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 178.491 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 6.8 p . . . . . 0 CA--C 1.573 1.839 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.0 p -116.42 130.78 56.95 Favored 'General case' 0 CA--C 1.571 1.787 0 O-C-N 118.94 -2.35 . . . . 0.0 110.839 129.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.29 63.11 3.05 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 117.481 1.752 . . . . 0.0 117.481 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.534 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 1.6 t80 -176.32 142.18 0.58 Allowed Pre-proline 0 CA--C 1.592 2.579 0 C-N-CA 126.797 2.039 . . . . 0.0 107.505 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.408 57.3 Cg_exo 25.3 -108.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 2 N-CA-C 122.928 4.164 . . . . 0.0 122.928 176.394 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.8 mt -87.88 18.0 4.46 Favored 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -176.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.8 p -112.67 161.82 16.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.368 -1.458 . . . . 0.0 114.475 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 . . . . . 0 CA--C 1.581 2.156 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 171.063 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 11.7 p . . . . . 0 CA--C 1.57 1.718 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 p -113.98 141.02 47.92 Favored 'General case' 0 CA--C 1.578 2.026 0 O-C-N 120.423 -1.423 . . . . 0.0 111.082 130.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.04 36.16 64.45 Favored Glycine 0 N--CA 1.503 3.14 0 N-CA-C 120.303 2.881 . . . . 0.0 120.303 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.471 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -153.17 147.58 19.06 Favored Pre-proline 0 CA--C 1.587 2.397 0 C-N-CA 125.843 1.657 . . . . 0.0 107.914 -177.264 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.397 29.8 Cg_exo 23.57 -97.82 0.0 OUTLIER 'Trans proline' 0 CA--C 1.57 2.309 1 N-CA-C 123.457 4.368 . . . . 0.0 123.457 175.478 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.5 mt -105.32 78.72 1.4 Allowed 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 120.426 1.466 . . . . 0.0 112.629 173.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -163.73 157.41 19.08 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 122.235 1.017 . . . . 0.0 112.828 171.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 . . . . . 0 CA--C 1.575 1.921 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 171.39 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.0 p . . . . . 0 CA--C 1.573 1.827 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p -109.48 148.04 31.86 Favored 'General case' 0 CA--C 1.581 2.137 0 O-C-N 119.827 -1.796 . . . . 0.0 111.069 125.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.47 48.61 71.72 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 119.363 2.505 . . . . 0.0 119.363 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.54 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 5.9 t80 -167.49 145.62 4.01 Favored Pre-proline 0 CA--C 1.587 2.385 0 C-N-CA 125.463 1.505 . . . . 0.0 108.449 -178.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.402 74.9 Cg_exo 21.93 -107.97 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.068 2 N-CA-C 122.823 4.124 . . . . 0.0 122.823 174.417 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.86 57.39 4.12 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.07 158.82 44.56 Favored 'General case' 0 CA--C 1.565 1.556 0 O-C-N 120.918 -1.114 . . . . 0.0 112.428 167.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 . . . . . 0 CA--C 1.579 2.074 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 171.332 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 6.9 p . . . . . 0 CA--C 1.574 1.879 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.3 p -106.1 141.72 37.0 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 118.547 -2.595 . . . . 0.0 111.701 126.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.11 46.75 26.62 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 120.141 2.816 . . . . 0.0 120.141 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.556 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 2.9 t80 -167.77 142.23 2.98 Favored Pre-proline 0 CA--C 1.585 2.316 0 C-N-CA 125.393 1.477 . . . . 0.0 107.798 -176.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.374 17.6 Cg_exo 28.1 -109.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.374 1.914 0 N-CA-C 122.28 3.916 . . . . 0.0 122.28 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.42 44.72 1.2 Allowed 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 p -143.32 151.01 39.99 Favored 'General case' 0 CA--C 1.565 1.521 0 O-C-N 120.463 -1.398 . . . . 0.0 111.56 167.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 . . . . . 0 CA--C 1.576 1.98 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 174.496 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.626 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.253 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.798 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.626 ' SG ' HG23 ' A' ' 1' ' ' VAL . 21.2 p -151.89 -175.64 5.31 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 117.442 2.386 . . . . 0.0 117.442 -149.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -117.06 134.43 54.77 Favored 'General case' 0 CA--C 1.58 2.098 0 O-C-N 120.481 -1.387 . . . . 0.0 111.349 136.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.19 53.96 8.5 Favored Glycine 0 N--CA 1.503 3.126 0 N-CA-C 118.815 2.286 . . . . 0.0 118.815 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.537 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 30.2 t80 -175.37 149.84 1.16 Allowed Pre-proline 0 CA--C 1.592 2.575 0 C-N-CA 125.881 1.673 . . . . 0.0 108.519 -168.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.363 16.8 Cg_exo 19.49 -113.83 0.0 OUTLIER 'Trans proline' 0 CA--C 1.57 2.3 2 N-CA-C 123.549 4.403 . . . . 0.0 123.549 169.641 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -83.48 50.37 1.76 Allowed 'General case' 0 CA--C 1.581 2.157 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.4 p -149.55 167.84 25.19 Favored 'General case' 0 CA--C 1.571 1.764 0 O-C-N 119.753 -1.842 . . . . 0.0 114.525 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -83.32 155.29 23.65 Favored 'General case' 0 CA--C 1.578 2.052 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 169.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -74.38 149.51 40.49 Favored 'General case' 0 CA--C 1.567 1.628 0 CA-C-O 123.455 1.598 . . . . 0.0 115.226 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.853 0 O-C-N 117.43 -3.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.629 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.277 2.6 m . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.629 ' SG ' HG23 ' A' ' 1' ' ' VAL . 9.1 p -155.34 -174.4 4.96 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 116.312 1.968 . . . . 0.0 116.312 -151.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.68 141.55 39.03 Favored 'General case' 0 CA--C 1.577 2.013 0 O-C-N 120.229 -1.544 . . . . 0.0 110.625 132.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.02 60.24 7.92 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 119.71 2.644 . . . . 0.0 119.71 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.56 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 21.0 t80 -176.03 142.33 0.61 Allowed Pre-proline 0 CA--C 1.592 2.56 0 C-N-CA 126.019 1.727 . . . . 0.0 107.803 -172.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.415 9.1 Cg_exo 30.03 -98.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 2.013 1 N-CA-C 123.087 4.226 . . . . 0.0 123.087 174.001 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.83 55.51 0.68 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 120.224 1.375 . . . . 0.0 114.39 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 p -143.95 162.95 34.84 Favored 'General case' 0 CA--C 1.57 1.734 0 O-C-N 121.002 -1.061 . . . . 0.0 112.605 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -85.13 149.98 25.16 Favored 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.1 m -68.26 134.24 50.07 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.063 0 O-C-N 117.322 -3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.576 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.253 3.4 m . . . . . 0 N--CA 1.494 1.733 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.576 ' SG ' HG23 ' A' ' 1' ' ' VAL . 11.7 p -152.07 -178.42 6.76 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 -157.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 p -108.27 139.69 42.61 Favored 'General case' 0 CA--C 1.577 2.018 0 O-C-N 119.717 -1.865 . . . . 0.0 111.185 125.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.73 58.36 5.38 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 118.727 2.251 . . . . 0.0 118.727 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.551 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 17.5 t80 -178.81 148.05 0.55 Allowed Pre-proline 0 CA--C 1.59 2.481 0 C-N-CA 125.953 1.701 . . . . 0.0 108.7 -172.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.388 63.9 Cg_exo 19.53 -101.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.105 2 N-CA-C 123.84 4.516 . . . . 0.0 123.84 169.868 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -95.77 56.5 1.75 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.5 p -150.19 170.84 17.99 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.531 -1.356 . . . . 0.0 113.297 171.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -76.7 155.03 33.62 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 115.178 1.548 . . . . 0.0 115.178 166.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.9 m -76.85 146.94 37.42 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 123.118 1.437 . . . . 0.0 113.375 166.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.896 0 O-C-N 117.146 -3.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.577 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.317 4.1 m . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 12.2 p -148.02 -169.71 3.4 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 -146.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.9 p -114.51 151.29 33.56 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 120.574 -1.329 . . . . 0.0 111.219 132.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.19 41.91 94.59 Favored Glycine 0 N--CA 1.499 2.851 0 N-CA-C 119.331 2.492 . . . . 0.0 119.331 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.593 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 4.4 t80 -165.56 151.82 8.74 Favored Pre-proline 0 CA--C 1.585 2.302 0 C-N-CA 124.931 1.292 . . . . 0.0 110.081 -166.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.352 38.2 Cg_exo 13.18 -87.06 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.082 2 N-CA-C 124.869 4.911 . . . . 0.0 124.869 173.625 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -103.57 46.97 0.9 Allowed 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.19 144.5 22.13 Favored 'General case' 0 CA--C 1.57 1.745 0 O-C-N 120.348 -1.47 . . . . 0.0 114.096 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -64.35 158.67 22.94 Favored 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.7 m -75.3 128.25 34.98 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.005 0 O-C-N 117.001 -3.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.269 6.2 m . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.6 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 10.2 p -151.25 -169.74 3.46 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -159.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p -118.04 132.84 56.34 Favored 'General case' 0 CA--C 1.576 1.958 0 O-C-N 120.038 -1.664 . . . . 0.0 109.51 133.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.32 56.39 5.18 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 118.453 2.141 . . . . 0.0 118.453 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.6 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -169.32 149.54 3.87 Favored Pre-proline 0 CA--C 1.59 2.508 0 C-N-CA 125.619 1.567 . . . . 0.0 108.822 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.315 83.8 Cg_exo 14.16 -79.1 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.062 2 N-CA-C 125.668 5.218 . . . . 0.0 125.668 172.339 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.3 mt -110.97 42.54 1.6 Allowed 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.5 p -146.2 153.08 40.21 Favored 'General case' 0 CA--C 1.562 1.421 0 O-C-N 120.639 -1.288 . . . . 0.0 112.69 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -71.88 159.14 34.79 Favored 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.56 144.51 57.16 Favored 'General case' 0 CA--C 1.57 1.723 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.944 0 O-C-N 117.903 -2.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.578 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.256 13.1 m . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.5 p -158.03 -178.78 7.55 Favored 'General case' 0 CA--C 1.572 1.811 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -162.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 p -105.33 138.21 41.89 Favored 'General case' 0 CA--C 1.576 1.957 0 O-C-N 119.51 -1.994 . . . . 0.0 111.54 125.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.58 55.69 5.9 Favored Glycine 0 N--CA 1.499 2.833 0 N-CA-C 118.802 2.281 . . . . 0.0 118.802 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.582 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -170.66 149.06 2.85 Favored Pre-proline 0 CA--C 1.59 2.481 0 C-N-CA 125.672 1.589 . . . . 0.0 108.794 -178.726 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.327 58.7 Cg_exo 16.09 -85.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.043 2 N-CA-C 124.754 4.867 . . . . 0.0 124.754 170.855 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.1 mt -102.62 43.22 1.09 Allowed 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 p -149.93 152.68 35.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 119.844 -1.785 . . . . 0.0 113.447 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -65.17 154.84 36.83 Favored 'General case' 0 CA--C 1.579 2.094 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 172.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.2 m -73.51 140.96 46.74 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 123.21 1.481 . . . . 0.0 113.776 170.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.971 0 O-C-N 117.562 -3.211 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.502 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.292 5.1 m . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.4 p -140.28 -174.42 3.94 Favored 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 -154.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 p -114.28 135.44 54.07 Favored 'General case' 0 CA--C 1.576 1.967 0 O-C-N 119.319 -2.113 . . . . 0.0 110.439 131.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.06 62.14 3.68 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 118.347 2.099 . . . . 0.0 118.347 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.58 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 1.4 t80 -175.69 151.21 1.21 Allowed Pre-proline 0 CA--C 1.591 2.53 0 C-N-CA 126.221 1.808 . . . . 0.0 108.706 -176.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.331 98.5 Cg_exo 11.92 -78.78 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.021 2 N-CA-C 124.879 4.915 . . . . 0.0 124.879 172.051 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.3 mt -112.55 58.48 0.64 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 119.143 0.883 . . . . 0.0 113.308 177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -156.81 161.15 39.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.436 -1.415 . . . . 0.0 112.95 173.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -80.05 161.14 25.54 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 169.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -72.81 149.18 43.82 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.893 0 O-C-N 116.972 -3.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.586 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.289 1.7 m . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.586 ' SG ' HG23 ' A' ' 1' ' ' VAL . 13.7 p -150.37 -167.41 2.81 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 -149.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -121.21 138.3 54.28 Favored 'General case' 0 CA--C 1.575 1.941 0 O-C-N 119.715 -1.865 . . . . 0.0 110.799 135.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.4 57.83 8.69 Favored Glycine 0 N--CA 1.5 2.901 0 N-CA-C 117.777 1.871 . . . . 0.0 117.777 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.552 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 16.3 t80 -173.8 138.34 0.73 Allowed Pre-proline 0 CA--C 1.587 2.391 0 C-N-CA 125.584 1.554 . . . . 0.0 107.738 -175.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.379 29.2 Cg_exo 28.83 -90.6 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 1.976 1 N-CA-C 123.916 4.545 . . . . 0.0 123.916 175.81 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.5 mt -84.71 -20.66 30.82 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.5 p -97.58 153.34 18.25 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -170.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -69.44 154.83 41.41 Favored 'General case' 0 CA--C 1.579 2.06 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 79.6 m -57.35 117.05 3.71 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.86 0 O-C-N 117.861 -3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.632 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.288 3.0 m . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.632 ' SG ' HG23 ' A' ' 1' ' ' VAL . 5.8 p -143.15 -163.65 1.68 Allowed 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -155.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.2 p -108.51 144.61 35.93 Favored 'General case' 0 CA--C 1.582 2.183 0 O-C-N 119.092 -2.255 . . . . 0.0 112.102 122.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.9 55.48 13.8 Favored Glycine 0 N--CA 1.497 2.721 0 N-CA-C 119.243 2.457 . . . . 0.0 119.243 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.521 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 10.8 t80 -177.25 137.88 0.41 Allowed Pre-proline 0 CA--C 1.591 2.557 0 C-N-CA 125.988 1.715 . . . . 0.0 107.661 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.451 71.5 Cg_exo 28.02 -102.91 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.004 2 N-CA-C 123.207 4.272 . . . . 0.0 123.207 -179.116 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.38 -26.76 68.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 117.642 2.46 . . . . 0.0 117.642 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -95.4 150.05 20.71 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -165.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -63.84 148.7 48.72 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 116.258 1.948 . . . . 0.0 116.258 175.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.27 145.41 55.59 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.831 0 O-C-N 117.665 -3.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.722 HG23 ' SG ' ' A' ' 2' ' ' CYS . 3.6 m . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.722 ' SG ' HG23 ' A' ' 1' ' ' VAL . 8.9 p -155.21 -169.58 3.21 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -156.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.6 p -110.67 141.38 44.01 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 119.265 -2.147 . . . . 0.0 111.095 129.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.62 47.18 35.33 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 119.374 2.51 . . . . 0.0 119.374 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.589 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 6.6 t80 -169.44 141.09 1.94 Allowed Pre-proline 0 CA--C 1.592 2.59 0 CA-C-N 119.405 1.602 . . . . 0.0 108.824 -172.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.403 9.1 Cg_exo 29.87 -96.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.375 1.934 1 N-CA-C 123.665 4.448 . . . . 0.0 123.665 175.941 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 mt -80.25 -15.88 55.98 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.79 155.54 17.59 Favored 'General case' 0 CA--C 1.567 1.606 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -169.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -61.06 144.61 53.14 Favored 'General case' 0 CA--C 1.58 2.1 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 168.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.1 m -69.23 143.69 53.89 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.815 0 O-C-N 117.411 -3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.596 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.291 3.6 m . . . . . 0 CA--C 1.569 1.702 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.596 ' SG ' HG23 ' A' ' 1' ' ' VAL . 8.3 p -133.19 -163.21 1.32 Allowed 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -151.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 p -115.21 135.28 54.34 Favored 'General case' 0 CA--C 1.58 2.128 0 O-C-N 119.356 -2.09 . . . . 0.0 110.831 129.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.67 53.72 7.14 Favored Glycine 0 N--CA 1.501 2.967 0 N-CA-C 118.882 2.313 . . . . 0.0 118.882 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.546 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 16.2 t80 -173.85 141.07 0.83 Allowed Pre-proline 0 CA--C 1.594 2.672 0 C-N-CA 126.105 1.762 . . . . 0.0 107.911 -177.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.431 86.3 Cg_exo 27.5 -100.77 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.142 2 N-CA-C 123.954 4.559 . . . . 0.0 123.954 176.457 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.72 -9.04 58.78 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -103.72 173.23 6.39 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -165.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -76.87 157.51 31.4 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.7 m -60.03 -51.54 69.2 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.763 0 O-C-N 116.803 -3.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.27 2.2 m . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 1' ' ' VAL . 6.8 p -152.05 -166.36 2.47 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -160.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.0 p -116.42 130.78 56.95 Favored 'General case' 0 CA--C 1.571 1.787 0 O-C-N 118.94 -2.35 . . . . 0.0 110.839 129.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.29 63.11 3.05 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 117.481 1.752 . . . . 0.0 117.481 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.534 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 1.6 t80 -176.32 142.18 0.58 Allowed Pre-proline 0 CA--C 1.592 2.579 0 C-N-CA 126.797 2.039 . . . . 0.0 107.505 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.408 57.3 Cg_exo 25.3 -108.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 2 N-CA-C 122.928 4.164 . . . . 0.0 122.928 176.394 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.8 mt -87.88 18.0 4.46 Favored 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -176.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.8 p -112.67 161.82 16.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.368 -1.458 . . . . 0.0 114.475 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -69.21 152.29 45.26 Favored 'General case' 0 CA--C 1.581 2.156 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 171.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.5 m -61.78 -49.14 77.55 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.848 0 O-C-N 117.568 -3.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.593 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.296 3.3 m . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.593 ' SG ' HG23 ' A' ' 1' ' ' VAL . 11.7 p -149.32 -170.99 3.78 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 -152.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 p -113.98 141.02 47.92 Favored 'General case' 0 CA--C 1.578 2.026 0 O-C-N 120.423 -1.423 . . . . 0.0 111.082 130.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.04 36.16 64.45 Favored Glycine 0 N--CA 1.503 3.14 0 N-CA-C 120.303 2.881 . . . . 0.0 120.303 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.471 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -153.17 147.58 19.06 Favored Pre-proline 0 CA--C 1.587 2.397 0 C-N-CA 125.843 1.657 . . . . 0.0 107.914 -177.264 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.397 29.8 Cg_exo 23.57 -97.82 0.0 OUTLIER 'Trans proline' 0 CA--C 1.57 2.309 1 N-CA-C 123.457 4.368 . . . . 0.0 123.457 175.478 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.5 mt -105.32 78.72 1.4 Allowed 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 120.426 1.466 . . . . 0.0 112.629 173.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -163.73 157.41 19.08 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 122.235 1.017 . . . . 0.0 112.828 171.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -62.7 155.96 24.96 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 171.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.9 m -68.02 -47.76 67.55 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.854 0 O-C-N 117.168 -3.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.533 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.309 3.6 m . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 120.754 0.312 . . . . 0.0 111.747 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.0 p -137.77 -167.58 2.17 Favored 'General case' 0 CA--C 1.573 1.827 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -153.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p -109.48 148.04 31.86 Favored 'General case' 0 CA--C 1.581 2.137 0 O-C-N 119.827 -1.796 . . . . 0.0 111.069 125.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.47 48.61 71.72 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 119.363 2.505 . . . . 0.0 119.363 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.54 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 5.9 t80 -167.49 145.62 4.01 Favored Pre-proline 0 CA--C 1.587 2.385 0 C-N-CA 125.463 1.505 . . . . 0.0 108.449 -178.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.402 74.9 Cg_exo 21.93 -107.97 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.068 2 N-CA-C 122.823 4.124 . . . . 0.0 122.823 174.417 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.86 57.39 4.12 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.07 158.82 44.56 Favored 'General case' 0 CA--C 1.565 1.556 0 O-C-N 120.918 -1.114 . . . . 0.0 112.428 167.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -70.4 150.36 46.34 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 171.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.4 m -70.15 -57.22 5.18 Favored 'General case' 0 CA--C 1.575 1.915 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 173.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.746 0 O-C-N 116.436 -3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.583 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.286 3.5 m . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.583 ' SG ' HG23 ' A' ' 1' ' ' VAL . 6.9 p -157.27 -170.53 3.28 Favored 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -159.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.3 p -106.1 141.72 37.0 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 118.547 -2.595 . . . . 0.0 111.701 126.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.11 46.75 26.62 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 120.141 2.816 . . . . 0.0 120.141 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.556 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 2.9 t80 -167.77 142.23 2.98 Favored Pre-proline 0 CA--C 1.585 2.316 0 C-N-CA 125.393 1.477 . . . . 0.0 107.798 -176.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.374 17.6 Cg_exo 28.1 -109.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.374 1.914 0 N-CA-C 122.28 3.916 . . . . 0.0 122.28 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.42 44.72 1.2 Allowed 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 p -143.32 151.01 39.99 Favored 'General case' 0 CA--C 1.565 1.521 0 O-C-N 120.463 -1.398 . . . . 0.0 111.56 167.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -74.71 151.84 39.17 Favored 'General case' 0 CA--C 1.576 1.98 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.0 m -73.18 -53.75 10.17 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 166.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.651 0 O-C-N 117.425 -3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 21.2 p . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 117.442 2.386 . . . . 0.0 117.442 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -117.06 134.43 54.77 Favored 'General case' 0 CA--C 1.58 2.098 0 O-C-N 120.481 -1.387 . . . . 0.0 111.349 136.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.19 53.96 8.5 Favored Glycine 0 N--CA 1.503 3.126 0 N-CA-C 118.815 2.286 . . . . 0.0 118.815 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.537 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 30.2 t80 -175.37 149.84 1.16 Allowed Pre-proline 0 CA--C 1.592 2.575 0 C-N-CA 125.881 1.673 . . . . 0.0 108.519 -168.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.363 16.8 Cg_exo 19.49 -113.83 0.0 OUTLIER 'Trans proline' 0 CA--C 1.57 2.3 2 N-CA-C 123.549 4.403 . . . . 0.0 123.549 169.641 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -83.48 50.37 1.76 Allowed 'General case' 0 CA--C 1.581 2.157 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.4 p -149.55 167.84 25.19 Favored 'General case' 0 CA--C 1.571 1.764 0 O-C-N 119.753 -1.842 . . . . 0.0 114.525 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 . . . . . 0 CA--C 1.578 2.052 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 169.122 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.1 p . . . . . 0 N--CA 1.497 1.879 0 N-CA-C 116.312 1.968 . . . . 0.0 116.312 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.68 141.55 39.03 Favored 'General case' 0 CA--C 1.577 2.013 0 O-C-N 120.229 -1.544 . . . . 0.0 110.625 132.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.02 60.24 7.92 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 119.71 2.644 . . . . 0.0 119.71 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.56 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 21.0 t80 -176.03 142.33 0.61 Allowed Pre-proline 0 CA--C 1.592 2.56 0 C-N-CA 126.019 1.727 . . . . 0.0 107.803 -172.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.415 9.1 Cg_exo 30.03 -98.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 2.013 1 N-CA-C 123.087 4.226 . . . . 0.0 123.087 174.001 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.83 55.51 0.68 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 120.224 1.375 . . . . 0.0 114.39 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 p -143.95 162.95 34.84 Favored 'General case' 0 CA--C 1.57 1.734 0 O-C-N 121.002 -1.061 . . . . 0.0 112.605 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 . . . . . 0 CA--C 1.577 2.001 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 175.201 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 11.7 p . . . . . 0 CA--C 1.57 1.726 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 p -108.27 139.69 42.61 Favored 'General case' 0 CA--C 1.577 2.018 0 O-C-N 119.717 -1.865 . . . . 0.0 111.185 125.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.73 58.36 5.38 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 118.727 2.251 . . . . 0.0 118.727 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.551 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 17.5 t80 -178.81 148.05 0.55 Allowed Pre-proline 0 CA--C 1.59 2.481 0 C-N-CA 125.953 1.701 . . . . 0.0 108.7 -172.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.388 63.9 Cg_exo 19.53 -101.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.105 2 N-CA-C 123.84 4.516 . . . . 0.0 123.84 169.868 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -95.77 56.5 1.75 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.5 p -150.19 170.84 17.99 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.531 -1.356 . . . . 0.0 113.297 171.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 CA--C 1.576 1.963 0 N-CA-C 115.178 1.548 . . . . 0.0 115.178 166.161 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 12.2 p . . . . . 0 CA--C 1.573 1.847 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.9 p -114.51 151.29 33.56 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 120.574 -1.329 . . . . 0.0 111.219 132.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.19 41.91 94.59 Favored Glycine 0 N--CA 1.499 2.851 0 N-CA-C 119.331 2.492 . . . . 0.0 119.331 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.593 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 4.4 t80 -165.56 151.82 8.74 Favored Pre-proline 0 CA--C 1.585 2.302 0 C-N-CA 124.931 1.292 . . . . 0.0 110.081 -166.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.352 38.2 Cg_exo 13.18 -87.06 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.082 2 N-CA-C 124.869 4.911 . . . . 0.0 124.869 173.625 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -103.57 46.97 0.9 Allowed 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.19 144.5 22.13 Favored 'General case' 0 CA--C 1.57 1.745 0 O-C-N 120.348 -1.47 . . . . 0.0 114.096 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 . . . . . 0 CA--C 1.584 2.254 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 175.341 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.6 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 10.2 p . . . . . 0 CA--C 1.571 1.764 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p -118.04 132.84 56.34 Favored 'General case' 0 CA--C 1.576 1.958 0 O-C-N 120.038 -1.664 . . . . 0.0 109.51 133.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.32 56.39 5.18 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 118.453 2.141 . . . . 0.0 118.453 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.6 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -169.32 149.54 3.87 Favored Pre-proline 0 CA--C 1.59 2.508 0 C-N-CA 125.619 1.567 . . . . 0.0 108.822 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.315 83.8 Cg_exo 14.16 -79.1 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.062 2 N-CA-C 125.668 5.218 . . . . 0.0 125.668 172.339 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.3 mt -110.97 42.54 1.6 Allowed 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.5 p -146.2 153.08 40.21 Favored 'General case' 0 CA--C 1.562 1.421 0 O-C-N 120.639 -1.288 . . . . 0.0 112.69 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 . . . . . 0 CA--C 1.575 1.928 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 176.22 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.5 p . . . . . 0 CA--C 1.572 1.811 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 p -105.33 138.21 41.89 Favored 'General case' 0 CA--C 1.576 1.957 0 O-C-N 119.51 -1.994 . . . . 0.0 111.54 125.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.58 55.69 5.9 Favored Glycine 0 N--CA 1.499 2.833 0 N-CA-C 118.802 2.281 . . . . 0.0 118.802 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.582 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -170.66 149.06 2.85 Favored Pre-proline 0 CA--C 1.59 2.481 0 C-N-CA 125.672 1.589 . . . . 0.0 108.794 -178.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.327 58.7 Cg_exo 16.09 -85.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.043 2 N-CA-C 124.754 4.867 . . . . 0.0 124.754 170.855 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.1 mt -102.62 43.22 1.09 Allowed 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 p -149.93 152.68 35.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 119.844 -1.785 . . . . 0.0 113.447 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 . . . . . 0 CA--C 1.579 2.094 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 172.124 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.4 p . . . . . 0 CA--C 1.567 1.612 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 p -114.28 135.44 54.07 Favored 'General case' 0 CA--C 1.576 1.967 0 O-C-N 119.319 -2.113 . . . . 0.0 110.439 131.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.06 62.14 3.68 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 118.347 2.099 . . . . 0.0 118.347 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.58 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 1.4 t80 -175.69 151.21 1.21 Allowed Pre-proline 0 CA--C 1.591 2.53 0 C-N-CA 126.221 1.808 . . . . 0.0 108.706 -176.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.331 98.5 Cg_exo 11.92 -78.78 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.021 2 N-CA-C 124.879 4.915 . . . . 0.0 124.879 172.051 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.3 mt -112.55 58.48 0.64 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 119.143 0.883 . . . . 0.0 113.308 177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -156.81 161.15 39.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.436 -1.415 . . . . 0.0 112.95 173.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 . . . . . 0 CA--C 1.582 2.198 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 169.418 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 13.7 p . . . . . 0 CA--C 1.574 1.892 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -121.21 138.3 54.28 Favored 'General case' 0 CA--C 1.575 1.941 0 O-C-N 119.715 -1.865 . . . . 0.0 110.799 135.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.4 57.83 8.69 Favored Glycine 0 N--CA 1.5 2.901 0 N-CA-C 117.777 1.871 . . . . 0.0 117.777 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.552 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 16.3 t80 -173.8 138.34 0.73 Allowed Pre-proline 0 CA--C 1.587 2.391 0 C-N-CA 125.584 1.554 . . . . 0.0 107.738 -175.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.379 29.2 Cg_exo 28.83 -90.6 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 1.976 1 N-CA-C 123.916 4.545 . . . . 0.0 123.916 175.81 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.5 mt -84.71 -20.66 30.82 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.5 p -97.58 153.34 18.25 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -170.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 . . . . . 0 CA--C 1.579 2.06 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 174.549 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.521 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 5.8 p . . . . . 0 CA--C 1.575 1.921 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.2 p -108.51 144.61 35.93 Favored 'General case' 0 CA--C 1.582 2.183 0 O-C-N 119.092 -2.255 . . . . 0.0 112.102 122.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.9 55.48 13.8 Favored Glycine 0 N--CA 1.497 2.721 0 N-CA-C 119.243 2.457 . . . . 0.0 119.243 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.521 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 10.8 t80 -177.25 137.88 0.41 Allowed Pre-proline 0 CA--C 1.591 2.557 0 C-N-CA 125.988 1.715 . . . . 0.0 107.661 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.451 71.5 Cg_exo 28.02 -102.91 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.004 2 N-CA-C 123.207 4.272 . . . . 0.0 123.207 -179.116 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.38 -26.76 68.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 117.642 2.46 . . . . 0.0 117.642 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -95.4 150.05 20.71 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -165.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 . . . . . 0 CA--C 1.58 2.114 0 N-CA-C 116.258 1.948 . . . . 0.0 116.258 175.54 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.9 p . . . . . 0 CA--C 1.572 1.804 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.6 p -110.67 141.38 44.01 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 119.265 -2.147 . . . . 0.0 111.095 129.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.62 47.18 35.33 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 119.374 2.51 . . . . 0.0 119.374 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.589 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 6.6 t80 -169.44 141.09 1.94 Allowed Pre-proline 0 CA--C 1.592 2.59 0 CA-C-N 119.405 1.602 . . . . 0.0 108.824 -172.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.403 9.1 Cg_exo 29.87 -96.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.375 1.934 1 N-CA-C 123.665 4.448 . . . . 0.0 123.665 175.941 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 mt -80.25 -15.88 55.98 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.79 155.54 17.59 Favored 'General case' 0 CA--C 1.567 1.606 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -169.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 . . . . . 0 CA--C 1.58 2.1 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 168.721 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.3 p . . . . . 0 CA--C 1.572 1.805 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 p -115.21 135.28 54.34 Favored 'General case' 0 CA--C 1.58 2.128 0 O-C-N 119.356 -2.09 . . . . 0.0 110.831 129.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.67 53.72 7.14 Favored Glycine 0 N--CA 1.501 2.967 0 N-CA-C 118.882 2.313 . . . . 0.0 118.882 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.546 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 16.2 t80 -173.85 141.07 0.83 Allowed Pre-proline 0 CA--C 1.594 2.672 0 C-N-CA 126.105 1.762 . . . . 0.0 107.911 -177.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.431 86.3 Cg_exo 27.5 -100.77 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.142 2 N-CA-C 123.954 4.559 . . . . 0.0 123.954 176.457 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.72 -9.04 58.78 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -103.72 173.23 6.39 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -165.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 . . . . . 0 CA--C 1.576 1.961 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 178.491 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 6.8 p . . . . . 0 CA--C 1.573 1.839 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.0 p -116.42 130.78 56.95 Favored 'General case' 0 CA--C 1.571 1.787 0 O-C-N 118.94 -2.35 . . . . 0.0 110.839 129.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.29 63.11 3.05 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 117.481 1.752 . . . . 0.0 117.481 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.534 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 1.6 t80 -176.32 142.18 0.58 Allowed Pre-proline 0 CA--C 1.592 2.579 0 C-N-CA 126.797 2.039 . . . . 0.0 107.505 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.408 57.3 Cg_exo 25.3 -108.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 2 N-CA-C 122.928 4.164 . . . . 0.0 122.928 176.394 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.8 mt -87.88 18.0 4.46 Favored 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -176.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.8 p -112.67 161.82 16.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.368 -1.458 . . . . 0.0 114.475 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 . . . . . 0 CA--C 1.581 2.156 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 171.063 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 11.7 p . . . . . 0 CA--C 1.57 1.718 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 p -113.98 141.02 47.92 Favored 'General case' 0 CA--C 1.578 2.026 0 O-C-N 120.423 -1.423 . . . . 0.0 111.082 130.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.04 36.16 64.45 Favored Glycine 0 N--CA 1.503 3.14 0 N-CA-C 120.303 2.881 . . . . 0.0 120.303 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.471 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -153.17 147.58 19.06 Favored Pre-proline 0 CA--C 1.587 2.397 0 C-N-CA 125.843 1.657 . . . . 0.0 107.914 -177.264 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.397 29.8 Cg_exo 23.57 -97.82 0.0 OUTLIER 'Trans proline' 0 CA--C 1.57 2.309 1 N-CA-C 123.457 4.368 . . . . 0.0 123.457 175.478 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.5 mt -105.32 78.72 1.4 Allowed 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 120.426 1.466 . . . . 0.0 112.629 173.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -163.73 157.41 19.08 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 122.235 1.017 . . . . 0.0 112.828 171.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 . . . . . 0 CA--C 1.575 1.921 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 171.39 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.0 p . . . . . 0 CA--C 1.573 1.827 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p -109.48 148.04 31.86 Favored 'General case' 0 CA--C 1.581 2.137 0 O-C-N 119.827 -1.796 . . . . 0.0 111.069 125.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.47 48.61 71.72 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 119.363 2.505 . . . . 0.0 119.363 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.54 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 5.9 t80 -167.49 145.62 4.01 Favored Pre-proline 0 CA--C 1.587 2.385 0 C-N-CA 125.463 1.505 . . . . 0.0 108.449 -178.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.402 74.9 Cg_exo 21.93 -107.97 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.068 2 N-CA-C 122.823 4.124 . . . . 0.0 122.823 174.417 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.86 57.39 4.12 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.07 158.82 44.56 Favored 'General case' 0 CA--C 1.565 1.556 0 O-C-N 120.918 -1.114 . . . . 0.0 112.428 167.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 . . . . . 0 CA--C 1.579 2.074 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 171.332 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 6.9 p . . . . . 0 CA--C 1.574 1.879 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.3 p -106.1 141.72 37.0 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 118.547 -2.595 . . . . 0.0 111.701 126.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.11 46.75 26.62 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 120.141 2.816 . . . . 0.0 120.141 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.556 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 2.9 t80 -167.77 142.23 2.98 Favored Pre-proline 0 CA--C 1.585 2.316 0 C-N-CA 125.393 1.477 . . . . 0.0 107.798 -176.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.374 17.6 Cg_exo 28.1 -109.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.374 1.914 0 N-CA-C 122.28 3.916 . . . . 0.0 122.28 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.42 44.72 1.2 Allowed 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 p -143.32 151.01 39.99 Favored 'General case' 0 CA--C 1.565 1.521 0 O-C-N 120.463 -1.398 . . . . 0.0 111.56 167.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 . . . . . 0 CA--C 1.576 1.98 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 174.496 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.626 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.253 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.798 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.626 ' SG ' HG23 ' A' ' 1' ' ' VAL . 21.2 p -151.89 -175.64 5.31 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 117.442 2.386 . . . . 0.0 117.442 -149.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -117.06 134.43 54.77 Favored 'General case' 0 CA--C 1.58 2.098 0 O-C-N 120.481 -1.387 . . . . 0.0 111.349 136.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.19 53.96 8.5 Favored Glycine 0 N--CA 1.503 3.126 0 N-CA-C 118.815 2.286 . . . . 0.0 118.815 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.537 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 30.2 t80 -175.37 149.84 1.16 Allowed Pre-proline 0 CA--C 1.592 2.575 0 C-N-CA 125.881 1.673 . . . . 0.0 108.519 -168.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.363 16.8 Cg_exo 19.49 -113.83 0.0 OUTLIER 'Trans proline' 0 CA--C 1.57 2.3 2 N-CA-C 123.549 4.403 . . . . 0.0 123.549 169.641 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -83.48 50.37 1.76 Allowed 'General case' 0 CA--C 1.581 2.157 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.4 p -149.55 167.84 25.19 Favored 'General case' 0 CA--C 1.571 1.764 0 O-C-N 119.753 -1.842 . . . . 0.0 114.525 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -83.32 155.29 23.65 Favored 'General case' 0 CA--C 1.578 2.052 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 169.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 82.4 m -74.38 149.51 40.49 Favored 'General case' 0 CA--C 1.567 1.628 0 CA-C-O 123.455 1.598 . . . . 0.0 115.226 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.853 0 O-C-N 117.43 -3.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.629 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.277 2.6 m . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.629 ' SG ' HG23 ' A' ' 1' ' ' VAL . 9.1 p -155.34 -174.4 4.96 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 116.312 1.968 . . . . 0.0 116.312 -151.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.5 p -107.68 141.55 39.03 Favored 'General case' 0 CA--C 1.577 2.013 0 O-C-N 120.229 -1.544 . . . . 0.0 110.625 132.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.02 60.24 7.92 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 119.71 2.644 . . . . 0.0 119.71 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.56 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 21.0 t80 -176.03 142.33 0.61 Allowed Pre-proline 0 CA--C 1.592 2.56 0 C-N-CA 126.019 1.727 . . . . 0.0 107.803 -172.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.415 9.1 Cg_exo 30.03 -98.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.376 2.013 1 N-CA-C 123.087 4.226 . . . . 0.0 123.087 174.001 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.83 55.51 0.68 Allowed 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 120.224 1.375 . . . . 0.0 114.39 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 p -143.95 162.95 34.84 Favored 'General case' 0 CA--C 1.57 1.734 0 O-C-N 121.002 -1.061 . . . . 0.0 112.605 168.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -85.13 149.98 25.16 Favored 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 175.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.1 m -68.26 134.24 50.07 Favored 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.063 0 O-C-N 117.322 -3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.576 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.253 3.4 m . . . . . 0 N--CA 1.494 1.733 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.576 ' SG ' HG23 ' A' ' 1' ' ' VAL . 11.7 p -152.07 -178.42 6.76 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 -157.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 p -108.27 139.69 42.61 Favored 'General case' 0 CA--C 1.577 2.018 0 O-C-N 119.717 -1.865 . . . . 0.0 111.185 125.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.73 58.36 5.38 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 118.727 2.251 . . . . 0.0 118.727 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.551 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 17.5 t80 -178.81 148.05 0.55 Allowed Pre-proline 0 CA--C 1.59 2.481 0 C-N-CA 125.953 1.701 . . . . 0.0 108.7 -172.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.388 63.9 Cg_exo 19.53 -101.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.105 2 N-CA-C 123.84 4.516 . . . . 0.0 123.84 169.868 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -95.77 56.5 1.75 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.5 p -150.19 170.84 17.99 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.531 -1.356 . . . . 0.0 113.297 171.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -76.7 155.03 33.62 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 115.178 1.548 . . . . 0.0 115.178 166.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.9 m -76.85 146.94 37.42 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-O 123.118 1.437 . . . . 0.0 113.375 166.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.896 0 O-C-N 117.146 -3.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.577 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.317 4.1 m . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 12.2 p -148.02 -169.71 3.4 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 117.051 2.241 . . . . 0.0 117.051 -146.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.9 p -114.51 151.29 33.56 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 120.574 -1.329 . . . . 0.0 111.219 132.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.19 41.91 94.59 Favored Glycine 0 N--CA 1.499 2.851 0 N-CA-C 119.331 2.492 . . . . 0.0 119.331 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.593 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 4.4 t80 -165.56 151.82 8.74 Favored Pre-proline 0 CA--C 1.585 2.302 0 C-N-CA 124.931 1.292 . . . . 0.0 110.081 -166.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.352 38.2 Cg_exo 13.18 -87.06 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.082 2 N-CA-C 124.869 4.911 . . . . 0.0 124.869 173.625 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -103.57 46.97 0.9 Allowed 'General case' 0 CA--C 1.579 2.067 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.19 144.5 22.13 Favored 'General case' 0 CA--C 1.57 1.745 0 O-C-N 120.348 -1.47 . . . . 0.0 114.096 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -64.35 158.67 22.94 Favored 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 117.992 2.59 . . . . 0.0 117.992 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.7 m -75.3 128.25 34.98 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.005 0 O-C-N 117.001 -3.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.269 6.2 m . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.6 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 10.2 p -151.25 -169.74 3.46 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -159.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 p -118.04 132.84 56.34 Favored 'General case' 0 CA--C 1.576 1.958 0 O-C-N 120.038 -1.664 . . . . 0.0 109.51 133.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.32 56.39 5.18 Favored Glycine 0 N--CA 1.498 2.824 0 N-CA-C 118.453 2.141 . . . . 0.0 118.453 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.6 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -169.32 149.54 3.87 Favored Pre-proline 0 CA--C 1.59 2.508 0 C-N-CA 125.619 1.567 . . . . 0.0 108.822 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.315 83.8 Cg_exo 14.16 -79.1 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.062 2 N-CA-C 125.668 5.218 . . . . 0.0 125.668 172.339 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.3 mt -110.97 42.54 1.6 Allowed 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.5 p -146.2 153.08 40.21 Favored 'General case' 0 CA--C 1.562 1.421 0 O-C-N 120.639 -1.288 . . . . 0.0 112.69 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -71.88 159.14 34.79 Favored 'General case' 0 CA--C 1.575 1.928 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.5 m -64.56 144.51 57.16 Favored 'General case' 0 CA--C 1.57 1.723 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.944 0 O-C-N 117.903 -2.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.578 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.256 13.1 m . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 8.5 p -158.03 -178.78 7.55 Favored 'General case' 0 CA--C 1.572 1.811 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -162.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 p -105.33 138.21 41.89 Favored 'General case' 0 CA--C 1.576 1.957 0 O-C-N 119.51 -1.994 . . . . 0.0 111.54 125.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.58 55.69 5.9 Favored Glycine 0 N--CA 1.499 2.833 0 N-CA-C 118.802 2.281 . . . . 0.0 118.802 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.582 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -170.66 149.06 2.85 Favored Pre-proline 0 CA--C 1.59 2.481 0 C-N-CA 125.672 1.589 . . . . 0.0 108.794 -178.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.327 58.7 Cg_exo 16.09 -85.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.043 2 N-CA-C 124.754 4.867 . . . . 0.0 124.754 170.855 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.1 mt -102.62 43.22 1.09 Allowed 'General case' 0 CA--C 1.577 1.995 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.9 p -149.93 152.68 35.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 119.844 -1.785 . . . . 0.0 113.447 176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -65.17 154.84 36.83 Favored 'General case' 0 CA--C 1.579 2.094 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 172.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.2 m -73.51 140.96 46.74 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 123.21 1.481 . . . . 0.0 113.776 170.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.971 0 O-C-N 117.562 -3.211 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.502 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.292 5.1 m . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.4 p -140.28 -174.42 3.94 Favored 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 -154.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 p -114.28 135.44 54.07 Favored 'General case' 0 CA--C 1.576 1.967 0 O-C-N 119.319 -2.113 . . . . 0.0 110.439 131.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.06 62.14 3.68 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 118.347 2.099 . . . . 0.0 118.347 -175.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.58 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 1.4 t80 -175.69 151.21 1.21 Allowed Pre-proline 0 CA--C 1.591 2.53 0 C-N-CA 126.221 1.808 . . . . 0.0 108.706 -176.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.331 98.5 Cg_exo 11.92 -78.78 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.021 2 N-CA-C 124.879 4.915 . . . . 0.0 124.879 172.051 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.3 mt -112.55 58.48 0.64 Allowed 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 119.143 0.883 . . . . 0.0 113.308 177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.7 p -156.81 161.15 39.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.436 -1.415 . . . . 0.0 112.95 173.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -80.05 161.14 25.54 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 169.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.2 m -72.81 149.18 43.82 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.893 0 O-C-N 116.972 -3.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.586 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.289 1.7 m . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.586 ' SG ' HG23 ' A' ' 1' ' ' VAL . 13.7 p -150.37 -167.41 2.81 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 -149.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -121.21 138.3 54.28 Favored 'General case' 0 CA--C 1.575 1.941 0 O-C-N 119.715 -1.865 . . . . 0.0 110.799 135.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.4 57.83 8.69 Favored Glycine 0 N--CA 1.5 2.901 0 N-CA-C 117.777 1.871 . . . . 0.0 117.777 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.552 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 16.3 t80 -173.8 138.34 0.73 Allowed Pre-proline 0 CA--C 1.587 2.391 0 C-N-CA 125.584 1.554 . . . . 0.0 107.738 -175.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.379 29.2 Cg_exo 28.83 -90.6 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 1.976 1 N-CA-C 123.916 4.545 . . . . 0.0 123.916 175.81 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.5 mt -84.71 -20.66 30.82 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 117.025 2.232 . . . . 0.0 117.025 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.5 p -97.58 153.34 18.25 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -170.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -69.44 154.83 41.41 Favored 'General case' 0 CA--C 1.579 2.06 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 79.6 m -57.35 117.05 3.71 Favored 'General case' 0 CA--C 1.568 1.639 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.86 0 O-C-N 117.861 -3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.632 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.288 3.0 m . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.632 ' SG ' HG23 ' A' ' 1' ' ' VAL . 5.8 p -143.15 -163.65 1.68 Allowed 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 -155.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.2 p -108.51 144.61 35.93 Favored 'General case' 0 CA--C 1.582 2.183 0 O-C-N 119.092 -2.255 . . . . 0.0 112.102 122.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.9 55.48 13.8 Favored Glycine 0 N--CA 1.497 2.721 0 N-CA-C 119.243 2.457 . . . . 0.0 119.243 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.521 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 10.8 t80 -177.25 137.88 0.41 Allowed Pre-proline 0 CA--C 1.591 2.557 0 C-N-CA 125.988 1.715 . . . . 0.0 107.661 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.451 71.5 Cg_exo 28.02 -102.91 0.0 OUTLIER 'Trans proline' 0 CA--C 1.564 2.004 2 N-CA-C 123.207 4.272 . . . . 0.0 123.207 -179.116 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.38 -26.76 68.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 117.642 2.46 . . . . 0.0 117.642 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -95.4 150.05 20.71 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -165.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -63.84 148.7 48.72 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 116.258 1.948 . . . . 0.0 116.258 175.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.0 m -63.27 145.41 55.59 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.831 0 O-C-N 117.665 -3.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.722 HG23 ' SG ' ' A' ' 2' ' ' CYS . 3.6 m . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.722 ' SG ' HG23 ' A' ' 1' ' ' VAL . 8.9 p -155.21 -169.58 3.21 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -156.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.6 p -110.67 141.38 44.01 Favored 'General case' 0 CA--C 1.578 2.03 0 O-C-N 119.265 -2.147 . . . . 0.0 111.095 129.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.62 47.18 35.33 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 119.374 2.51 . . . . 0.0 119.374 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.589 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 6.6 t80 -169.44 141.09 1.94 Allowed Pre-proline 0 CA--C 1.592 2.59 0 CA-C-N 119.405 1.602 . . . . 0.0 108.824 -172.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.403 9.1 Cg_exo 29.87 -96.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.375 1.934 1 N-CA-C 123.665 4.448 . . . . 0.0 123.665 175.941 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.8 mt -80.25 -15.88 55.98 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.79 155.54 17.59 Favored 'General case' 0 CA--C 1.567 1.606 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -169.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -61.06 144.61 53.14 Favored 'General case' 0 CA--C 1.58 2.1 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 168.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.1 m -69.23 143.69 53.89 Favored 'General case' 0 CA--C 1.568 1.663 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.815 0 O-C-N 117.411 -3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.596 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.291 3.6 m . . . . . 0 CA--C 1.569 1.702 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.596 ' SG ' HG23 ' A' ' 1' ' ' VAL . 8.3 p -133.19 -163.21 1.32 Allowed 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -151.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.3 p -115.21 135.28 54.34 Favored 'General case' 0 CA--C 1.58 2.128 0 O-C-N 119.356 -2.09 . . . . 0.0 110.831 129.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.67 53.72 7.14 Favored Glycine 0 N--CA 1.501 2.967 0 N-CA-C 118.882 2.313 . . . . 0.0 118.882 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.546 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 16.2 t80 -173.85 141.07 0.83 Allowed Pre-proline 0 CA--C 1.594 2.672 0 C-N-CA 126.105 1.762 . . . . 0.0 107.911 -177.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.431 86.3 Cg_exo 27.5 -100.77 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.142 2 N-CA-C 123.954 4.559 . . . . 0.0 123.954 176.457 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.72 -9.04 58.78 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 p -103.72 173.23 6.39 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -165.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 -76.87 157.51 31.4 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.7 m -60.03 -51.54 69.2 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 178.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.763 0 O-C-N 116.803 -3.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.27 2.2 m . . . . . 0 N--CA 1.497 1.89 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 1' ' ' VAL . 6.8 p -152.05 -166.36 2.47 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -160.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.0 p -116.42 130.78 56.95 Favored 'General case' 0 CA--C 1.571 1.787 0 O-C-N 118.94 -2.35 . . . . 0.0 110.839 129.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.29 63.11 3.05 Favored Glycine 0 N--CA 1.496 2.651 0 N-CA-C 117.481 1.752 . . . . 0.0 117.481 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.534 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 1.6 t80 -176.32 142.18 0.58 Allowed Pre-proline 0 CA--C 1.592 2.579 0 C-N-CA 126.797 2.039 . . . . 0.0 107.505 -178.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.408 57.3 Cg_exo 25.3 -108.17 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 2 N-CA-C 122.928 4.164 . . . . 0.0 122.928 176.394 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.8 mt -87.88 18.0 4.46 Favored 'General case' 0 CA--C 1.583 2.216 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -176.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.8 p -112.67 161.82 16.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.368 -1.458 . . . . 0.0 114.475 174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -69.21 152.29 45.26 Favored 'General case' 0 CA--C 1.581 2.156 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 171.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.5 m -61.78 -49.14 77.55 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.848 0 O-C-N 117.568 -3.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.593 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.296 3.3 m . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.593 ' SG ' HG23 ' A' ' 1' ' ' VAL . 11.7 p -149.32 -170.99 3.78 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 -152.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 p -113.98 141.02 47.92 Favored 'General case' 0 CA--C 1.578 2.026 0 O-C-N 120.423 -1.423 . . . . 0.0 111.082 130.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.04 36.16 64.45 Favored Glycine 0 N--CA 1.503 3.14 0 N-CA-C 120.303 2.881 . . . . 0.0 120.303 179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.471 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER -153.17 147.58 19.06 Favored Pre-proline 0 CA--C 1.587 2.397 0 C-N-CA 125.843 1.657 . . . . 0.0 107.914 -177.264 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.397 29.8 Cg_exo 23.57 -97.82 0.0 OUTLIER 'Trans proline' 0 CA--C 1.57 2.309 1 N-CA-C 123.457 4.368 . . . . 0.0 123.457 175.478 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 78.5 mt -105.32 78.72 1.4 Allowed 'General case' 0 N--CA 1.499 1.995 0 CA-C-N 120.426 1.466 . . . . 0.0 112.629 173.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -163.73 157.41 19.08 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 122.235 1.017 . . . . 0.0 112.828 171.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -62.7 155.96 24.96 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 117.329 2.344 . . . . 0.0 117.329 171.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.9 m -68.02 -47.76 67.55 Favored 'General case' 0 CA--C 1.569 1.684 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.854 0 O-C-N 117.168 -3.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.533 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.309 3.6 m . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 120.754 0.312 . . . . 0.0 111.747 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 5' ' ' TYR . 9.0 p -137.77 -167.58 2.17 Favored 'General case' 0 CA--C 1.573 1.827 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -153.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 p -109.48 148.04 31.86 Favored 'General case' 0 CA--C 1.581 2.137 0 O-C-N 119.827 -1.796 . . . . 0.0 111.069 125.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.47 48.61 71.72 Favored Glycine 0 N--CA 1.5 2.942 0 N-CA-C 119.363 2.505 . . . . 0.0 119.363 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.54 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 5.9 t80 -167.49 145.62 4.01 Favored Pre-proline 0 CA--C 1.587 2.385 0 C-N-CA 125.463 1.505 . . . . 0.0 108.449 -178.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.402 74.9 Cg_exo 21.93 -107.97 0.0 OUTLIER 'Trans proline' 0 CA--C 1.565 2.068 2 N-CA-C 122.823 4.124 . . . . 0.0 122.823 174.417 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.86 57.39 4.12 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.07 158.82 44.56 Favored 'General case' 0 CA--C 1.565 1.556 0 O-C-N 120.918 -1.114 . . . . 0.0 112.428 167.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -70.4 150.36 46.34 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 171.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.4 m -70.15 -57.22 5.18 Favored 'General case' 0 CA--C 1.575 1.915 0 N-CA-C 115.058 1.503 . . . . 0.0 115.058 173.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.746 0 O-C-N 116.436 -3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.583 HG23 ' SG ' ' A' ' 2' ' ' CYS 0.286 3.5 m . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.583 ' SG ' HG23 ' A' ' 1' ' ' VAL . 6.9 p -157.27 -170.53 3.28 Favored 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -159.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.3 p -106.1 141.72 37.0 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 118.547 -2.595 . . . . 0.0 111.701 126.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.11 46.75 26.62 Favored Glycine 0 N--CA 1.495 2.605 0 N-CA-C 120.141 2.816 . . . . 0.0 120.141 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.556 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . 2.9 t80 -167.77 142.23 2.98 Favored Pre-proline 0 CA--C 1.585 2.316 0 C-N-CA 125.393 1.477 . . . . 0.0 107.798 -176.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . 0.374 17.6 Cg_exo 28.1 -109.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.374 1.914 0 N-CA-C 122.28 3.916 . . . . 0.0 122.28 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.6 mt -87.42 44.72 1.2 Allowed 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 p -143.32 151.01 39.99 Favored 'General case' 0 CA--C 1.565 1.521 0 O-C-N 120.463 -1.398 . . . . 0.0 111.56 167.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -74.71 151.84 39.17 Favored 'General case' 0 CA--C 1.576 1.98 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 174.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.0 m -73.18 -53.75 10.17 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 166.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.651 0 O-C-N 117.425 -3.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_