data_1u85_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 1u85 _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 ' 6' ' ' LYS . . . . . 0.422 ' HD3' ' HD2' ' A' ' 7' ' ' PRO . 7.8 mmtp . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HD2' ' HD3' ' A' ' 6' ' ' LYS . 11.4 Cg_endo -59.57 -21.71 63.47 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.068 2.512 . . . . 0.0 112.374 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.66 ' CE2' ' HB3' ' A' ' 20' ' ' SER . 19.0 m-85 -122.38 109.43 14.39 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.53 142.05 51.63 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.981 0.419 . . . . 0.0 111.837 -172.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -82.22 127.88 69.75 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.177 173.224 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -86.13 4.73 6.33 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.615 2.21 . . . . 0.0 112.199 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -104.46 -55.94 2.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.386 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.431 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.8 m -97.84 -12.23 22.39 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 t0 72.33 35.51 1.19 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.719 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 3.1 m95 -75.49 151.83 37.95 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.693 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.88 129.85 44.45 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.973 0.416 . . . . 0.0 110.869 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.643 ' CD1' HD12 ' A' ' 23' ' ' LEU . 68.9 m-85 -129.81 137.94 50.76 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.383 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -13.61 55.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.799 178.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HB3' ' OD1' ' A' ' 21' ' ' ASP . 2.6 mtm-85 -121.12 138.25 54.29 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.263 1.03 . . . . 0.0 111.77 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.66 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 6.3 p -63.24 -43.3 98.44 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.764 -177.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' A' ' 19' ' ' ARG . 13.9 p-10 -66.83 -30.84 71.12 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.022 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -69.88 -40.7 75.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.314 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.643 HD12 ' CD1' ' A' ' 17' ' ' PHE . 21.5 tp -65.59 -43.74 88.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.271 177.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.86 -36.67 84.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.804 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.47 66.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.711 177.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 74.2 t60 -96.53 -45.57 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.014 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.66 -9.73 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -173.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -30.35 71.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.666 0.27 . . . . 0.0 110.622 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 2.8 ptp180 -74.19 -11.4 60.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.976 0.417 . . . . 0.0 110.614 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 121.497 0.665 . . . . 0.0 109.974 177.739 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mttt . . . . . 0 C--O 1.234 0.288 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -59.38 -16.77 36.76 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.299 2.666 . . . . 0.0 112.633 -174.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.717 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 31.1 m-85 -122.19 101.75 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.824 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.76 137.05 50.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.414 -173.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -77.4 130.46 74.37 Favored Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -88.06 6.5 4.92 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.816 2.344 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -107.7 -55.33 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.0 111.503 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.579 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.8 m -102.11 -6.19 23.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.086 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t0 68.4 34.04 3.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.169 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 6.7 m95 -74.57 160.34 31.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.865 176.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.55 129.73 29.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 74.3 m-85 -130.09 140.87 50.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.368 -178.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -12.18 52.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.361 0.601 . . . . 0.0 109.719 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -117.67 130.81 56.58 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 122.187 0.994 . . . . 0.0 110.72 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.717 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.6 p -60.59 -36.26 78.12 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 113.316 -1.765 . . . . 0.0 110.773 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -36.03 81.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.779 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -69.92 -40.61 75.46 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.66 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 8' ' ' PHE . 35.6 tp -63.41 -45.12 92.48 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.27 87.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.973 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.34 -30.53 70.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.998 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -83.45 -28.17 28.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.279 0.562 . . . . 0.0 110.188 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -94.2 12.86 25.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.591 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -67.13 -40.14 86.73 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -0.67 24.33 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.87 176.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.89 178.842 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.826 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.146 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -57.75 -25.62 69.38 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.854 2.369 . . . . 0.0 111.847 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.81 ' CE2' ' HB3' ' A' ' 20' ' ' SER . 6.4 m-85 -119.39 114.54 22.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.507 175.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.81 136.55 51.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.041 0.448 . . . . 0.0 111.434 -174.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.88 130.71 84.81 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.416 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -86.03 5.46 5.99 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.551 2.167 . . . . 0.0 112.424 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -109.9 -50.16 3.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.847 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.563 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -106.98 -8.98 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.309 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 69.17 30.16 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.223 -173.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.563 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.9 m95 -70.19 134.62 48.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.269 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.826 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -117.18 129.96 56.29 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.296 -174.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.623 ' CD1' HD13 ' A' ' 23' ' ' LEU . 75.1 m-85 -129.31 141.73 51.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.701 -176.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -8.93 55.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.377 0.608 . . . . 0.0 109.85 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -124.08 130.0 51.83 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.868 0.842 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.81 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 3.4 p -63.35 -38.62 91.85 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.189 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -30.79 71.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.613 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -73.89 -38.73 64.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.459 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.623 HD13 ' CD1' ' A' ' 17' ' ' PHE . 19.0 tp -64.82 -41.85 95.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.856 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.44 79.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.739 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.62 -16.79 64.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.058 177.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -99.74 -47.25 5.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.22 0.533 . . . . 0.0 110.387 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -76.12 -3.63 37.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.901 -175.102 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -65.73 -32.56 74.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.15 -19.4 63.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.61 175.316 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.765 177.688 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.661 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.146 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -59.81 -22.26 67.35 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.328 2.685 . . . . 0.0 111.977 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.762 ' HB3' HD21 ' A' ' 23' ' ' LEU . 25.0 m-85 -117.17 120.54 38.61 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.393 -0.822 . . . . 0.0 108.979 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 140.71 47.73 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.545 -170.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.8 t -81.92 130.02 62.3 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -88.37 4.86 5.47 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.505 2.136 . . . . 0.0 112.133 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -108.54 -50.62 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.603 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.783 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.4 m -102.99 -5.97 22.86 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 67.28 31.83 6.32 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.646 0.591 . . . . 0.0 110.276 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.783 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.1 m95 -74.22 154.72 38.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.456 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.661 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -132.45 132.45 42.76 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.968 0.413 . . . . 0.0 111.133 -177.593 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.478 ' O ' ' HB3' ' A' ' 6' ' ' LYS . 77.2 m-85 -133.69 142.37 47.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.279 -177.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.15 -5.25 57.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.246 0.546 . . . . 0.0 110.083 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -125.33 129.46 50.0 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.934 0.873 . . . . 0.0 110.545 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.753 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 14.0 p -59.91 -39.15 84.43 Favored 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 113.716 -1.584 . . . . 0.0 110.859 178.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.44 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.88 -32.82 74.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.227 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.44 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 2.6 m170 -76.25 -38.04 56.81 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.93 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.762 HD21 ' HB3' ' A' ' 8' ' ' PHE . 35.5 tp -63.3 -44.26 95.51 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.58 83.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.603 HD21 ' HE3' ' A' ' 28' ' ' LYS . 8.7 mt -62.24 -38.45 89.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -73.34 -38.36 65.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.312 0.577 . . . . 0.0 110.143 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.39 8.07 23.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.919 -174.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.603 ' HE3' HD21 ' A' ' 25' ' ' LEU . 26.4 mttt -62.79 -41.65 99.36 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 110.166 175.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -18.79 61.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.551 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.406 0.622 . . . . 0.0 110.441 178.439 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 9.3 mttt . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.27 -17.55 26.67 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.246 2.63 . . . . 0.0 112.249 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.801 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 25.6 m-85 -124.78 110.94 14.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.296 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.02 135.26 48.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -172.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.29 128.15 78.98 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.995 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -84.19 2.1 8.37 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.581 2.187 . . . . 0.0 112.55 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -103.53 -43.61 5.34 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.553 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.58 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.8 m -113.82 -9.22 13.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t70 69.86 33.27 2.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.325 0.583 . . . . 0.0 109.896 -174.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.58 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 13.0 m95 -79.62 138.72 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.694 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.404 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -118.7 131.66 56.15 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.064 0.459 . . . . 0.0 111.054 -176.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 58.6 m-85 -131.84 138.73 48.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.427 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -82.55 -11.95 58.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.11 0.481 . . . . 0.0 110.382 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -119.97 133.33 55.59 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-O 122.103 0.954 . . . . 0.0 110.548 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.801 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 3.0 p -62.59 -36.5 82.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.795 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.536 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -64.98 -37.43 87.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.679 176.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.536 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 5.5 m170 -68.49 -40.74 80.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.742 0.306 . . . . 0.0 110.53 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.503 HD12 ' HD1' ' A' ' 17' ' ' PHE . 29.5 tp -64.45 -44.51 90.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.137 176.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -33.91 77.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.54 -23.29 65.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -92.64 -44.65 8.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.39 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -77.13 -6.93 54.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -174.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -62.84 -33.27 74.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.976 0.417 . . . . 0.0 110.609 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -78.62 -4.88 51.15 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.239 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 13.7 m-70 . . . . . 0 C--N 1.325 -0.491 0 CA-C-O 121.567 0.699 . . . . 0.0 109.204 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.748 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 8.5 mptt . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -58.77 -26.9 81.95 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 123.027 2.485 . . . . 0.0 111.889 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.843 ' HB3' HD22 ' A' ' 23' ' ' LEU . 14.0 m-85 -116.14 103.21 10.31 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.994 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -128.61 127.57 42.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.763 -169.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -73.52 129.38 85.66 Favored Pre-proline 0 N--CA 1.441 -0.92 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.591 175.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -88.7 1.43 6.27 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.604 2.203 . . . . 0.0 112.387 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.41 -56.84 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.689 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -100.15 -5.95 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.677 179.097 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t70 66.58 39.82 3.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.503 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.689 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 31.5 m95 -86.15 116.38 24.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.058 175.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.748 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -101.23 132.32 46.8 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.033 -176.376 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.0 m-85 -130.24 140.91 50.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.372 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -86.43 -7.56 58.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.225 0.536 . . . . 0.0 110.201 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -120.71 132.05 54.87 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 121.873 0.844 . . . . 0.0 110.753 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.729 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 5.1 p -59.66 -44.22 93.64 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.764 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.484 ' OD1' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -62.59 -32.59 73.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.068 178.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.484 ' HD2' ' OD1' ' A' ' 21' ' ' ASP . 3.0 m170 -73.57 -40.76 63.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.154 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.843 HD22 ' HB3' ' A' ' 8' ' ' PHE . 14.3 tp -68.79 -40.13 79.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.265 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.41 74.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.096 0.474 . . . . 0.0 110.244 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 2.8 mt -66.4 -28.15 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.336 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -89.4 -46.37 8.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.842 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.448 ' HG3' ' HG ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -80.48 14.27 2.11 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -66.78 -30.28 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.116 0.484 . . . . 0.0 109.724 174.297 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.1 13.67 22.36 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.426 176.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.879 178.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 10.7 mmtt . . . . . 0 CA--C 1.519 -0.247 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.16 -18.85 24.94 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.13 2.553 . . . . 0.0 112.273 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.705 ' CE2' ' HB3' ' A' ' 20' ' ' SER . 17.8 m-85 -128.85 119.6 24.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.99 136.39 42.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.802 0.334 . . . . 0.0 111.591 -173.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -77.86 131.62 69.9 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.306 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -87.89 -1.57 7.24 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.424 2.083 . . . . 0.0 112.53 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -99.3 -54.56 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.517 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.495 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.8 m -98.74 -12.77 20.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.625 0.25 . . . . 0.0 110.802 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.473 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 5.3 t70 71.32 32.83 2.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.021 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.575 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 7.1 m95 -73.36 137.49 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.865 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.99 133.45 56.02 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.997 0.427 . . . . 0.0 111.082 -176.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 59.8 m-85 -134.32 137.45 44.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.299 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -9.0 58.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.29 0.567 . . . . 0.0 109.914 177.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 133.9 54.74 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 122.137 0.97 . . . . 0.0 111.304 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.705 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 4.0 p -60.21 -43.5 95.93 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 113.266 -1.788 . . . . 0.0 111.362 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -37.1 80.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.0 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 2.0 m170 -67.16 -42.91 83.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.333 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.572 HD23 ' HB3' ' A' ' 8' ' ' PHE . 40.3 tp -63.9 -45.57 88.72 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.233 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -35.56 80.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.26 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.588 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -69.77 -25.3 63.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.089 0.471 . . . . 0.0 110.401 179.203 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -87.59 -44.55 11.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.439 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -77.25 6.46 6.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.03 -176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 2.3 ptmt -66.19 -31.59 72.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.968 0.413 . . . . 0.0 110.187 175.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -91.4 17.44 8.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 178.035 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.398 179.643 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.568 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -59.6 -13.21 20.38 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 123.197 2.598 . . . . 0.0 112.546 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.766 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 23.6 m-85 -128.8 113.86 15.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.186 176.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -127.91 140.06 52.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.893 0.377 . . . . 0.0 111.326 -173.283 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -84.1 127.33 67.18 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.531 174.066 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -89.4 6.57 4.4 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.832 2.355 . . . . 0.0 112.457 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -106.75 -45.18 4.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.772 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.651 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -110.43 -7.62 14.76 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.408 -0.117 . . . . 0.0 111.189 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.22 38.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.042 -175.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.651 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 9.2 m95 -83.9 153.36 24.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.636 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.568 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -133.65 132.88 41.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.914 0.388 . . . . 0.0 110.999 -178.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 61.4 m-85 -134.6 138.98 45.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.461 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.25 -7.44 59.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.213 0.53 . . . . 0.0 110.334 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -123.0 130.38 52.73 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.982 0.896 . . . . 0.0 110.458 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.766 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 8.0 p -62.07 -35.16 77.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 113.773 -1.558 . . . . 0.0 110.822 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.26 -32.33 73.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.066 176.512 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.462 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 3.0 m170 -75.13 -39.54 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.243 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 8' ' ' PHE . 41.3 tp -65.74 -45.87 81.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.094 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -70.22 -40.4 74.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.297 177.309 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -74.72 -37.57 62.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.439 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 1.6 mtp180 -85.46 11.13 11.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.72 -175.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -68.39 -28.8 67.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 109.963 176.653 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.55 18.47 9.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.288 175.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 9.0 m-70 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.33 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.745 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 1.1 mptt . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.77 0.319 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -60.69 -23.72 76.8 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.013 2.475 . . . . 0.0 112.093 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.786 ' HB3' HD21 ' A' ' 23' ' ' LEU . 22.4 m-85 -112.07 106.69 15.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.119 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.584 ' NE2' ' HA ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -123.8 139.51 53.9 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.233 -170.656 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 t -84.03 125.95 71.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.622 176.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -82.2 -0.39 10.22 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.538 2.159 . . . . 0.0 112.407 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -101.06 -55.85 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.711 0.291 . . . . 0.0 111.743 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.573 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.5 m -98.74 -9.21 24.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.084 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.584 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER 70.42 29.61 3.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.21 -174.62 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.573 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.5 m95 -71.65 151.62 43.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.12 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.745 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -128.98 131.0 47.39 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.772 0.32 . . . . 0.0 111.117 -178.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 67.8 m-85 -132.51 134.78 45.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.354 -178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -9.5 58.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.126 0.488 . . . . 0.0 109.888 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -115.68 131.66 56.87 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 121.66 0.743 . . . . 0.0 110.392 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.612 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 20.4 p -60.42 -42.93 97.04 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.007 -1.452 . . . . 0.0 110.524 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -32.65 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.053 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -71.2 -39.78 71.57 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.762 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 8' ' ' PHE . 16.4 tp -65.94 -43.32 88.34 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -35.35 78.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.604 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 HD22 ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -65.87 -25.98 67.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.132 0.492 . . . . 0.0 110.59 176.561 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.41 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 73.0 t60 -90.2 -38.49 13.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.913 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 3.1 mtp180 -88.53 -3.86 58.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.294 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HE2' HD22 ' A' ' 25' ' ' LEU . 32.8 pttt -69.08 -32.96 72.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.771 0.319 . . . . 0.0 110.536 177.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -77.18 -18.13 58.03 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.14 0.495 . . . . 0.0 109.791 175.7 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 7.2 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.235 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.462 ' H ' ' HB3' ' A' ' 16' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.592 0.234 . . . . 0.0 110.803 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -59.58 -18.97 50.22 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.234 2.622 . . . . 0.0 112.841 -175.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 28.6 m-85 -119.66 100.09 7.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.735 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.35 141.52 45.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.707 -173.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -82.79 131.03 55.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.668 173.304 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -87.39 3.6 6.36 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.766 2.311 . . . . 0.0 112.421 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -105.7 -54.83 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 111.86 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.591 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -100.65 -6.89 24.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 68.3 31.71 5.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.793 -174.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.591 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 7.9 m95 -72.8 153.63 41.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.25 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.462 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 7.1 m -134.4 129.4 35.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.755 0.312 . . . . 0.0 110.466 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.52 ' CD1' HD11 ' A' ' 23' ' ' LEU . 75.0 m-85 -127.1 139.44 52.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.214 -177.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -15.7 51.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.201 0.524 . . . . 0.0 110.083 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.99 132.48 56.69 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 121.809 0.814 . . . . 0.0 110.729 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.548 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 79.7 p -61.69 -37.65 84.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.609 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -61.29 -39.81 91.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.79 176.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.46 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 1.9 m170 -68.78 -41.14 79.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.637 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.52 HD11 ' CD1' ' A' ' 17' ' ' PHE . 20.3 tp -66.08 -41.46 90.65 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.285 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.95 86.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.428 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.55 -29.62 70.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.144 0.497 . . . . 0.0 110.414 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.436 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 81.3 t60 -87.45 -38.3 16.22 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.362 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 27' ' ' ARG . 1.2 mtp180 -89.26 -5.57 57.5 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.149 -0.344 . . . . 0.0 111.816 -173.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -73.3 -27.73 61.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 110.193 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -85.61 6.64 26.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.23 174.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 4.4 m-70 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 177.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mttt . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -55.51 -23.83 41.29 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 123.18 2.587 . . . . 0.0 112.335 -175.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.753 ' HB3' HD21 ' A' ' 23' ' ' LEU . 26.7 m-85 -118.11 100.96 7.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.747 178.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.86 143.39 48.93 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.029 -174.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 t -81.39 127.41 73.61 Favored Pre-proline 0 N--CA 1.447 -0.604 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.392 176.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.11 7.55 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.729 2.286 . . . . 0.0 112.18 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.16 -53.82 2.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.475 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.708 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.2 m -106.1 -2.6 22.46 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -176.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 67.18 28.68 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.326 0.584 . . . . 0.0 110.503 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.708 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.0 m95 -72.57 144.22 47.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 174.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -129.85 126.92 39.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.033 0.444 . . . . 0.0 110.577 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 58.6 m-85 -126.76 140.39 52.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.282 -176.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.09 -10.47 57.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.284 0.564 . . . . 0.0 109.904 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -120.8 135.1 55.24 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 121.979 0.895 . . . . 0.0 111.073 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.723 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 2.6 p -61.08 -41.59 96.93 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 113.456 -1.702 . . . . 0.0 111.075 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.438 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.87 -36.24 83.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.716 177.629 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.438 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 3.6 m170 -67.99 -40.28 83.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.743 0.306 . . . . 0.0 110.65 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 8' ' ' PHE . 34.2 tp -64.86 -44.74 88.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.166 176.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -33.87 76.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.918 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -65.6 -29.91 70.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.294 177.484 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 69.0 t60 -86.62 -46.25 10.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.927 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -77.49 2.68 15.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.534 -175.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 2.6 ptpt -66.49 -30.13 70.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 110.24 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 16.0 ptp180 -82.38 -2.93 54.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.805 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 19.3 m-70 . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.795 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.713 ' H ' ' HB3' ' A' ' 16' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -55.14 -22.76 33.2 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 123.19 2.593 . . . . 0.0 112.183 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.829 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 20.8 m-85 -118.99 127.74 53.74 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.39 138.11 41.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.244 0.545 . . . . 0.0 111.689 -171.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -80.07 129.92 68.3 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.281 174.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -88.49 5.13 5.32 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.501 2.134 . . . . 0.0 112.632 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -109.29 -51.39 2.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -176.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.542 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -102.7 -6.34 22.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 178.047 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 69.23 35.13 2.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.435 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.542 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.1 m95 -76.65 153.18 35.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.835 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.713 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 1.4 m -131.11 130.37 43.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.714 0.292 . . . . 0.0 110.741 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 84.2 m-85 -127.87 138.06 52.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.77 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -16.3 58.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.274 0.559 . . . . 0.0 110.388 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -120.36 130.48 54.42 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 121.895 0.855 . . . . 0.0 110.633 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.829 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 5.0 p -61.42 -35.87 78.75 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 113.699 -1.591 . . . . 0.0 110.525 178.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -38.81 92.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.053 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -71.71 -36.82 70.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.564 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.681 HD23 ' HB3' ' A' ' 8' ' ' PHE . 17.6 tp -65.41 -42.54 92.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.142 176.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.01 74.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.652 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.73 -25.84 64.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.794 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -90.79 -32.65 16.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.49 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.22 19.4 5.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.508 -175.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.67 -46.42 79.2 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.85 5.8 5.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.082 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.165 177.605 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.461 ' H ' ' HB3' ' A' ' 16' ' ' SER . 1.4 mttm . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.401 0.143 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.81 -24.69 57.17 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.373 2.715 . . . . 0.0 112.723 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.637 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 44.0 m-85 -112.12 95.97 5.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.896 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.31 137.69 48.74 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.853 -176.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.9 t -79.51 124.25 83.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 175.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.91 4.07 7.26 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.58 2.187 . . . . 0.0 112.356 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -105.72 -47.56 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.536 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.574 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.5 m -111.95 -4.53 14.51 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t0 69.13 35.98 2.56 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.588 0.709 . . . . 0.0 110.203 -177.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.574 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 10.4 m95 -83.7 151.76 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.634 175.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.461 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -131.63 127.97 38.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.914 0.387 . . . . 0.0 111.394 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.523 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 43.4 m-85 -129.11 141.11 51.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.204 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -16.63 47.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.966 0.412 . . . . 0.0 110.437 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -119.7 133.66 55.54 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 122.102 0.953 . . . . 0.0 111.258 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.637 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.1 p -57.19 -42.61 81.53 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.089 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.514 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.28 -30.53 71.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.538 179.494 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.514 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 9.7 m170 -72.95 -44.45 61.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.44 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 8' ' ' PHE . 19.8 tp -62.72 -43.49 98.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.164 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.25 -33.97 76.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.765 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.509 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -70.46 -25.34 63.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.739 177.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -86.62 -41.29 14.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 5.4 mtp180 -84.67 4.89 30.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.489 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -67.01 -27.38 67.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.307 0.575 . . . . 0.0 109.936 175.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -92.33 19.65 6.88 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.267 176.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 7.6 m-70 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.811 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -59.27 -14.17 23.2 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.489 2.793 . . . . 0.0 112.683 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.696 ' HB3' HD21 ' A' ' 23' ' ' LEU . 37.5 m-85 -123.13 108.63 13.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.385 177.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.02 139.55 53.83 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.611 -171.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 4.4 t -82.95 122.51 77.95 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.02 -0.24 10.59 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.404 2.069 . . . . 0.0 112.092 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -98.81 -54.36 3.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.663 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.555 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 3.2 m -102.58 -7.12 22.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.472 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t0 71.02 28.71 3.1 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.708 0.63 . . . . 0.0 109.994 -175.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.555 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 6.2 m95 -72.81 153.3 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.811 177.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -134.52 128.19 32.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.031 0.444 . . . . 0.0 110.931 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CD1' HD12 ' A' ' 23' ' ' LEU . 57.5 m-85 -127.73 140.26 52.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.238 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.31 -13.6 52.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.323 0.583 . . . . 0.0 110.145 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 19' ' ' ARG . 6.0 mtp85 -115.84 131.85 56.82 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-O 121.871 0.843 . . . . 0.0 110.595 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.688 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 8.3 p -60.53 -39.4 87.71 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 113.661 -1.609 . . . . 0.0 110.808 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.501 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.23 -32.42 74.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.086 178.046 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.501 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 3.6 m170 -73.28 -39.62 65.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.878 0.37 . . . . 0.0 110.51 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 ' HB3' ' A' ' 8' ' ' PHE . 28.2 tp -65.18 -43.79 90.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.106 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.66 78.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.24 -24.58 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.542 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.521 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 72.7 t60 -93.73 -38.63 11.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.873 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 1.4 mtp-105 -85.24 -8.13 58.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.233 -0.292 . . . . 0.0 111.744 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -32.01 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.372 . . . . 0.0 110.673 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 7.5 ptp180 -74.63 -16.81 60.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.55 0.69 . . . . 0.0 109.583 178.212 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.599 ' H ' ' HB3' ' A' ' 16' ' ' SER . 2.3 mttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 6' ' ' LYS . 6.7 Cg_endo -53.53 -28.49 45.54 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.34 2.693 . . . . 0.0 112.209 -177.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.81 ' HB3' HD21 ' A' ' 23' ' ' LEU . 14.8 m-85 -109.59 128.55 55.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.968 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -145.73 141.57 28.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.16 0.505 . . . . 0.0 111.683 -172.405 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -84.08 128.54 62.18 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.932 175.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -85.08 2.6 7.83 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.611 2.208 . . . . 0.0 112.551 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -103.46 -50.46 3.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.92 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.492 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 3.2 m -103.24 -10.4 18.78 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.387 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t0 73.49 32.81 1.15 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.86 0.725 . . . . 0.0 109.849 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.511 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 5.1 m95 -78.07 148.76 34.11 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.129 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.599 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -126.34 135.44 51.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.784 0.326 . . . . 0.0 110.802 178.389 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' HD1' HD13 ' A' ' 23' ' ' LEU . 64.0 m-85 -134.17 137.92 44.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.1 -13.6 52.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.25 0.548 . . . . 0.0 110.154 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -121.28 132.4 54.78 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 122.031 0.919 . . . . 0.0 110.707 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 4.8 p -61.58 -36.2 79.99 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 113.49 -1.686 . . . . 0.0 110.905 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -33.7 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.982 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.33 -39.98 62.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' A' ' 8' ' ' PHE . 15.0 tp -65.37 -42.16 93.02 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.198 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.09 -27.25 67.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -20.29 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.237 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -97.28 -46.74 6.0 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.044 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.9 -3.14 46.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -173.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -61.07 -35.25 76.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.807 0.336 . . . . 0.0 110.769 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -12.65 59.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.182 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.39 0.614 . . . . 0.0 110.652 -179.14 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.705 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 1.4 mttt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -55.37 -23.83 40.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.119 2.546 . . . . 0.0 112.386 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.794 ' HB3' HD22 ' A' ' 23' ' ' LEU . 23.7 m-85 -116.97 114.92 24.5 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.615 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.88 135.24 49.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.029 0.443 . . . . 0.0 111.385 -173.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -77.12 128.17 81.66 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.942 175.553 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -87.19 8.57 4.28 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.769 2.312 . . . . 0.0 112.533 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -109.54 -51.7 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.751 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.6 m -107.39 -10.38 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.933 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.92 39.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.025 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.751 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 10.8 m95 -81.17 145.23 31.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.289 175.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.705 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -121.88 132.88 54.8 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.11 -177.153 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.9 m-85 -135.69 139.08 43.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -176.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.26 -11.12 50.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.153 0.501 . . . . 0.0 110.219 178.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -122.18 133.61 54.73 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.906 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 87.6 p -59.75 -39.09 83.65 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.017 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -36.86 85.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.62 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -69.04 -40.42 78.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 8' ' ' PHE . 27.0 tp -65.03 -44.63 88.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.24 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.37 75.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.224 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -21.94 65.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.164 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -94.84 -41.45 9.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.337 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 4.7 mtp180 -84.24 14.19 4.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.756 -176.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -33.51 73.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.96 21.7 3.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.126 174.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.744 179.37 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.579 ' H ' ' HB3' ' A' ' 16' ' ' SER . 3.9 mptt . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -55.63 -25.34 49.85 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.214 2.609 . . . . 0.0 112.195 -177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.726 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 14.5 m-85 -114.71 120.94 41.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.335 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -132.87 142.28 48.85 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.842 -171.217 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -87.96 122.94 69.79 Favored Pre-proline 0 N--CA 1.446 -0.638 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.567 174.388 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -84.7 11.05 3.49 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.349 2.033 . . . . 0.0 112.239 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -106.35 -52.68 2.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.088 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.743 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.1 m -107.18 -2.34 20.98 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -178.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.443 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 9.0 t0 69.53 31.21 3.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.345 0.593 . . . . 0.0 110.217 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.743 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 9.9 m95 -78.93 151.55 31.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.903 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.579 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 1.3 m -133.49 134.69 43.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.85 0.357 . . . . 0.0 110.809 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.518 ' HD1' HD13 ' A' ' 23' ' ' LEU . 73.4 m-85 -134.16 139.81 46.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.331 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -11.6 57.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.118 0.485 . . . . 0.0 110.156 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -115.33 130.3 56.86 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.992 0.901 . . . . 0.0 110.931 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.726 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 7.0 p -60.93 -34.56 74.9 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.416 -1.72 . . . . 0.0 110.557 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -29.25 62.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.797 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -74.87 -40.42 60.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.565 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.518 HD13 ' HD1' ' A' ' 17' ' ' PHE . 29.2 tp -64.15 -44.23 92.76 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.0 79.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.68 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -67.73 -30.48 69.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 178.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -85.43 -29.57 24.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.957 0.408 . . . . 0.0 111.016 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 3.1 mtp180 -92.46 12.41 22.92 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 122.086 -0.384 . . . . 0.0 111.104 -177.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HE3' ' HA ' ' A' ' 25' ' ' LEU . 80.7 mttt -64.07 -46.3 84.93 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.189 0.518 . . . . 0.0 110.117 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -68.94 -21.31 64.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.475 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 12.9 m-70 . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 177.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -61.19 -21.04 70.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.303 2.669 . . . . 0.0 112.734 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.686 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 45.6 m-85 -114.4 97.6 6.42 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 143.16 45.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.42 -174.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.38 126.34 67.23 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.322 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -83.82 -5.07 10.66 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.582 2.188 . . . . 0.0 111.914 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -93.52 -50.52 5.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.422 -177.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.769 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.3 m -106.31 -10.99 16.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.709 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 72.26 33.12 1.58 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.607 0.567 . . . . 0.0 110.584 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.769 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 21.4 m95 -77.75 154.6 31.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.53 175.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.87 130.38 43.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.955 0.407 . . . . 0.0 111.015 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 62.3 m-85 -130.54 139.91 50.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.952 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -9.69 55.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.471 0.653 . . . . 0.0 109.905 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -121.19 134.07 55.2 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 122.209 1.004 . . . . 0.0 111.062 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.686 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 4.2 p -58.42 -44.2 89.01 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 112.907 -1.952 . . . . 0.0 111.024 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.71 -32.97 74.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.28 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.563 ' HA ' HD23 ' A' ' 25' ' ' LEU . 4.1 m170 -72.8 -41.64 64.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.525 178.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 8' ' ' PHE . 17.3 tp -62.96 -43.25 99.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.962 176.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.3 79.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.563 HD23 ' HA ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -68.18 -23.0 64.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 177.735 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.419 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 67.8 t60 -92.23 -35.72 13.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.169 0.509 . . . . 0.0 110.83 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -90.37 1.02 57.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.773 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HE3' ' O ' ' A' ' 25' ' ' LEU . 20.5 pttp -71.27 -30.46 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.381 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 15.9 ptp180 -70.32 -25.27 63.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.384 0.611 . . . . 0.0 110.18 174.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.538 178.84 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -55.64 -30.01 73.19 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.957 2.438 . . . . 0.0 111.82 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.744 ' CE2' ' HB3' ' A' ' 20' ' ' SER . 13.3 m-85 -114.26 113.22 24.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.235 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.28 135.86 37.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.632 -173.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.91 126.28 80.26 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.63 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -83.79 -5.11 10.68 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.665 2.244 . . . . 0.0 111.512 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -91.83 -48.44 6.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.277 -177.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.67 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.2 m -113.17 -4.27 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 66.05 34.33 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.223 0.535 . . . . 0.0 110.484 -175.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.67 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 13.3 m95 -79.98 135.76 36.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.486 175.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.2 128.45 54.23 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.965 0.412 . . . . 0.0 111.514 -174.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.564 ' CD1' HD12 ' A' ' 23' ' ' LEU . 38.7 m-85 -131.32 138.03 49.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.606 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -7.65 58.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.146 0.498 . . . . 0.0 110.194 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -122.5 136.2 54.83 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-O 122.01 0.91 . . . . 0.0 110.595 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.744 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 2.5 p -61.2 -41.25 96.5 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 113.365 -1.743 . . . . 0.0 110.844 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.44 ' OD1' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.22 -29.13 69.9 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.081 177.56 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.44 ' HD2' ' OD1' ' A' ' 21' ' ' ASP . 5.5 m170 -71.54 -41.94 68.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.057 0.456 . . . . 0.0 110.503 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 17' ' ' PHE . 33.0 tp -67.04 -45.09 78.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.179 178.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.75 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.847 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -70.89 -18.78 62.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.515 177.079 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -99.56 -44.53 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 0.0 110.482 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -78.81 2.51 19.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.401 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -61.65 -39.34 90.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.784 176.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.79 -12.05 60.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.411 0.625 . . . . 0.0 109.891 176.701 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.677 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.584 0.23 . . . . 0.0 110.675 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -57.93 -27.95 80.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.207 2.605 . . . . 0.0 112.308 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.718 ' HB3' HD22 ' A' ' 23' ' ' LEU . 21.4 m-85 -110.39 104.22 12.96 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.193 176.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.16 135.67 54.44 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.189 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -79.63 131.88 63.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.066 176.668 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -91.36 1.76 4.55 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.957 2.438 . . . . 0.0 112.373 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.44 -42.74 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.275 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.706 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.7 m -117.78 -4.14 11.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.37 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 t0 68.0 36.31 3.4 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.294 0.569 . . . . 0.0 110.165 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.706 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.9 m95 -80.51 149.41 30.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.011 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.677 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -128.48 130.94 48.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.862 0.363 . . . . 0.0 111.282 -176.828 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 48.5 m-85 -135.38 135.89 41.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.483 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.08 -13.65 55.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.163 0.506 . . . . 0.0 110.31 178.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -118.26 134.65 54.84 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.908 0.861 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.654 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.5 p -62.75 -39.47 94.24 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 113.791 -1.55 . . . . 0.0 111.226 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -64.81 -34.66 78.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.784 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -67.56 -42.6 82.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.64 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 8' ' ' PHE . 28.3 tp -64.18 -43.0 96.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.19 177.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.76 76.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.967 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.6 mp -70.13 -18.48 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.539 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -96.09 -43.28 7.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.476 0.655 . . . . 0.0 109.931 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -82.08 9.89 7.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.579 -175.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.78 -30.36 71.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.222 0.534 . . . . 0.0 109.999 175.517 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 16.81 18.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.606 178.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.116 178.786 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.896 -0.481 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.43 169.89 11.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.695 0.283 . . . . 0.0 110.588 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.531 ' HB ' HG12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.58 161.4 25.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.373 178.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.61 54.08 4.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.175 -0.535 . . . . 0.0 112.118 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.531 HG12 ' HB ' ' A' ' 3' ' ' THR . 22.2 mm -80.57 143.94 11.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.897 0.38 . . . . 0.0 110.686 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' HD3' ' HD2' ' A' ' 7' ' ' PRO . 7.8 mmtp -124.44 158.43 61.57 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.954 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HD2' ' HD3' ' A' ' 6' ' ' LYS . 11.4 Cg_endo -59.57 -21.71 63.47 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.068 2.512 . . . . 0.0 112.374 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.66 ' CE2' ' HB3' ' A' ' 20' ' ' SER . 19.0 m-85 -122.38 109.43 14.39 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.53 142.05 51.63 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.981 0.419 . . . . 0.0 111.837 -172.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -82.22 127.88 69.75 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.177 173.224 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -86.13 4.73 6.33 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.615 2.21 . . . . 0.0 112.199 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -104.46 -55.94 2.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.386 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.431 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.8 m -97.84 -12.23 22.39 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 t0 72.33 35.51 1.19 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.719 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 3.1 m95 -75.49 151.83 37.95 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.693 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.88 129.85 44.45 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.973 0.416 . . . . 0.0 110.869 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.643 ' CD1' HD12 ' A' ' 23' ' ' LEU . 68.9 m-85 -129.81 137.94 50.76 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.383 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -13.61 55.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.799 178.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HB3' ' OD1' ' A' ' 21' ' ' ASP . 2.6 mtm-85 -121.12 138.25 54.29 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.263 1.03 . . . . 0.0 111.77 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.66 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 6.3 p -63.24 -43.3 98.44 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.764 -177.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' A' ' 19' ' ' ARG . 13.9 p-10 -66.83 -30.84 71.12 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.022 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -69.88 -40.7 75.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.314 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.643 HD12 ' CD1' ' A' ' 17' ' ' PHE . 21.5 tp -65.59 -43.74 88.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.271 177.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.86 -36.67 84.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.804 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.47 66.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.711 177.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 74.2 t60 -96.53 -45.57 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.014 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.66 -9.73 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -173.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -30.35 71.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.666 0.27 . . . . 0.0 110.622 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 2.8 ptp180 -74.19 -11.4 60.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.976 0.417 . . . . 0.0 110.614 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -97.59 -29.11 13.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.497 0.665 . . . . 0.0 109.974 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.2 mtt -88.21 -48.84 7.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.263 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt 58.17 42.69 21.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.474 0.654 . . . . 0.0 110.456 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.063 -179.064 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.88 156.56 17.74 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.06 132.11 40.31 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 177.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.23 -48.69 2.36 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.897 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.8 mm -88.92 137.5 21.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.065 0.46 . . . . 0.0 110.328 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -123.08 159.77 52.65 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.517 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -59.38 -16.77 36.76 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.299 2.666 . . . . 0.0 112.633 -174.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.717 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 31.1 m-85 -122.19 101.75 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.824 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.76 137.05 50.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.414 -173.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -77.4 130.46 74.37 Favored Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.736 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -88.06 6.5 4.92 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.816 2.344 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -107.7 -55.33 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.0 111.503 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.579 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.8 m -102.11 -6.19 23.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.086 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t0 68.4 34.04 3.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.169 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 6.7 m95 -74.57 160.34 31.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.865 176.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.55 129.73 29.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 74.3 m-85 -130.09 140.87 50.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.368 -178.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -12.18 52.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.361 0.601 . . . . 0.0 109.719 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -117.67 130.81 56.58 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 122.187 0.994 . . . . 0.0 110.72 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.717 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.6 p -60.59 -36.26 78.12 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 113.316 -1.765 . . . . 0.0 110.773 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -36.03 81.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.779 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -69.92 -40.61 75.46 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.66 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 8' ' ' PHE . 35.6 tp -63.41 -45.12 92.48 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.27 87.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.973 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.34 -30.53 70.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.998 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -83.45 -28.17 28.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.279 0.562 . . . . 0.0 110.188 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -94.2 12.86 25.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.591 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -67.13 -40.14 86.73 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -0.67 24.33 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.87 176.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -109.03 33.51 4.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.89 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ptp -104.73 -3.1 24.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.688 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.83 48.96 0.83 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.309 0.576 . . . . 0.0 109.814 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.689 -179.167 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.79 90.65 6.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.927 0.394 . . . . 0.0 110.251 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.44 140.29 46.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.353 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.67 -52.33 4.77 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.32 -0.943 . . . . 0.0 111.336 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 HD13 ' OE1' ' A' ' 9' ' ' GLN . 20.6 mm -87.49 126.58 41.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.874 0.369 . . . . 0.0 110.461 177.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.826 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 0.1 OUTLIER -101.7 160.38 26.68 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 175.778 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -57.75 -25.62 69.38 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.854 2.369 . . . . 0.0 111.847 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.81 ' CE2' ' HB3' ' A' ' 20' ' ' SER . 6.4 m-85 -119.39 114.54 22.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.507 175.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' OE1' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -127.81 136.55 51.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.041 0.448 . . . . 0.0 111.434 -174.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.88 130.71 84.81 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.416 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -86.03 5.46 5.99 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.551 2.167 . . . . 0.0 112.424 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -109.9 -50.16 3.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.847 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.563 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -106.98 -8.98 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.309 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 69.17 30.16 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.223 -173.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.563 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.9 m95 -70.19 134.62 48.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.269 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.826 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -117.18 129.96 56.29 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.296 -174.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.623 ' CD1' HD13 ' A' ' 23' ' ' LEU . 75.1 m-85 -129.31 141.73 51.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.701 -176.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -8.93 55.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.377 0.608 . . . . 0.0 109.85 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -124.08 130.0 51.83 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.868 0.842 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.81 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 3.4 p -63.35 -38.62 91.85 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.189 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -30.79 71.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.613 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -73.89 -38.73 64.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.459 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.623 HD13 ' CD1' ' A' ' 17' ' ' PHE . 19.0 tp -64.82 -41.85 95.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.856 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.44 79.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.739 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.509 ' HA ' HD13 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.62 -16.79 64.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.058 177.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -99.74 -47.25 5.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.22 0.533 . . . . 0.0 110.387 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -76.12 -3.63 37.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.901 -175.102 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 0.0 OUTLIER -65.73 -32.56 74.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.15 -19.4 63.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.61 175.316 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -90.36 -13.42 35.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.765 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.537 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 30.7 mtm -89.07 -30.88 18.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.942 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 59.09 54.59 4.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.655 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.402 -0.808 . . . . 0.0 110.017 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.56 50.54 0.95 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.331 0.586 . . . . 0.0 110.241 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 121.72 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.761 -178.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.13 -49.47 1.33 Allowed Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.71 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.8 mm -89.0 126.7 42.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.831 0.348 . . . . 0.0 110.482 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.661 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -112.69 160.7 29.62 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.086 178.712 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -59.81 -22.26 67.35 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.328 2.685 . . . . 0.0 111.977 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.762 ' HB3' HD21 ' A' ' 23' ' ' LEU . 25.0 m-85 -117.17 120.54 38.61 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.393 -0.822 . . . . 0.0 108.979 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 140.71 47.73 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.545 -170.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.8 t -81.92 130.02 62.3 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -88.37 4.86 5.47 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.505 2.136 . . . . 0.0 112.133 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -108.54 -50.62 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.603 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.783 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.4 m -102.99 -5.97 22.86 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 67.28 31.83 6.32 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.646 0.591 . . . . 0.0 110.276 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.783 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.1 m95 -74.22 154.72 38.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.456 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.661 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -132.45 132.45 42.76 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.968 0.413 . . . . 0.0 111.133 -177.593 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.478 ' O ' ' HB3' ' A' ' 6' ' ' LYS . 77.2 m-85 -133.69 142.37 47.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.279 -177.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.15 -5.25 57.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.246 0.546 . . . . 0.0 110.083 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -125.33 129.46 50.0 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.934 0.873 . . . . 0.0 110.545 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.753 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 14.0 p -59.91 -39.15 84.43 Favored 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 113.716 -1.584 . . . . 0.0 110.859 178.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.88 -32.82 74.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.227 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.44 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 2.6 m170 -76.25 -38.04 56.81 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.93 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.762 HD21 ' HB3' ' A' ' 8' ' ' PHE . 35.5 tp -63.3 -44.26 95.51 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.58 83.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD21 ' HE3' ' A' ' 28' ' ' LYS . 8.7 mt -62.24 -38.45 89.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -73.34 -38.36 65.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.312 0.577 . . . . 0.0 110.143 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.39 8.07 23.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.919 -174.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.637 ' HA ' HG22 ' A' ' 33' ' ' VAL . 26.4 mttt -62.79 -41.65 99.36 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 110.166 175.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -18.79 61.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.551 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -83.07 -45.5 13.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.406 0.622 . . . . 0.0 110.441 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 mtp -80.93 -5.57 57.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.159 -177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.64 53.74 2.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.026 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.778 176.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -81.87 95.52 7.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.978 0.418 . . . . 0.0 110.886 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.6 136.09 36.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.034 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.21 -45.33 3.07 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.4 mm -91.96 130.94 40.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 9.3 mttt -117.98 160.07 40.34 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.27 -17.55 26.67 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.246 2.63 . . . . 0.0 112.249 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.801 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 25.6 m-85 -124.78 110.94 14.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.296 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.02 135.26 48.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -172.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.29 128.15 78.98 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.995 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -84.19 2.1 8.37 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.581 2.187 . . . . 0.0 112.55 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -103.53 -43.61 5.34 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.553 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.58 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.8 m -113.82 -9.22 13.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t70 69.86 33.27 2.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.325 0.583 . . . . 0.0 109.896 -174.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.58 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 13.0 m95 -79.62 138.72 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.694 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.404 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -118.7 131.66 56.15 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.064 0.459 . . . . 0.0 111.054 -176.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 58.6 m-85 -131.84 138.73 48.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.427 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -82.55 -11.95 58.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.11 0.481 . . . . 0.0 110.382 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -119.97 133.33 55.59 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-O 122.103 0.954 . . . . 0.0 110.548 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.801 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 3.0 p -62.59 -36.5 82.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.795 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.536 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -64.98 -37.43 87.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.679 176.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.536 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 5.5 m170 -68.49 -40.74 80.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.742 0.306 . . . . 0.0 110.53 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.503 HD12 ' HD1' ' A' ' 17' ' ' PHE . 29.5 tp -64.45 -44.51 90.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.137 176.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -33.91 77.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.54 -23.29 65.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -92.64 -44.65 8.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.39 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -77.13 -6.93 54.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -174.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -62.84 -33.27 74.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.976 0.417 . . . . 0.0 110.609 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -78.62 -4.88 51.15 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.239 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 13.7 m-70 -92.5 -13.88 29.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.567 0.699 . . . . 0.0 109.204 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.502 ' HB2' HG23 ' A' ' 33' ' ' VAL . 3.3 mtt -102.29 -36.6 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.782 174.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.0 48.32 5.26 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.443 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 31' ' ' MET . 5.0 m . . . . . 0 C--O 1.245 0.851 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.875 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.82 151.46 19.58 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 120.86 24.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.018 0.437 . . . . 0.0 111.202 -175.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.92 -39.03 0.92 Allowed Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.7 mm -68.86 130.74 34.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.272 -0.464 . . . . 0.0 110.376 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.748 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 8.5 mptt -109.21 161.4 23.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.88 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -58.77 -26.9 81.95 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 123.027 2.485 . . . . 0.0 111.889 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.843 ' HB3' HD22 ' A' ' 23' ' ' LEU . 14.0 m-85 -116.14 103.21 10.31 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.994 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -128.61 127.57 42.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.763 -169.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -73.52 129.38 85.66 Favored Pre-proline 0 N--CA 1.441 -0.92 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.591 175.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -88.7 1.43 6.27 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.604 2.203 . . . . 0.0 112.387 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.41 -56.84 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.689 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -100.15 -5.95 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.677 179.097 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t70 66.58 39.82 3.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.503 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.689 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 31.5 m95 -86.15 116.38 24.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.058 175.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.748 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -101.23 132.32 46.8 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.033 -176.376 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.0 m-85 -130.24 140.91 50.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.372 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -86.43 -7.56 58.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.225 0.536 . . . . 0.0 110.201 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -120.71 132.05 54.87 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 121.873 0.844 . . . . 0.0 110.753 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.729 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 5.1 p -59.66 -44.22 93.64 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.764 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.484 ' OD1' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -62.59 -32.59 73.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.068 178.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' HD2' ' OD1' ' A' ' 21' ' ' ASP . 3.0 m170 -73.57 -40.76 63.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.154 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.843 HD22 ' HB3' ' A' ' 8' ' ' PHE . 14.3 tp -68.79 -40.13 79.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.265 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.41 74.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.096 0.474 . . . . 0.0 110.244 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 2.8 mt -66.4 -28.15 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.336 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -89.4 -46.37 8.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.842 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.448 ' HG3' ' HG ' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -80.48 14.27 2.11 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -66.78 -30.28 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.116 0.484 . . . . 0.0 109.724 174.297 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.1 13.67 22.36 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.426 176.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.51 24.9 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.879 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.64 -11.54 21.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.073 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.72 63.26 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.348 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.055 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 111.894 -0.482 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.35 132.26 38.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.679 0.276 . . . . 0.0 110.395 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.97 143.18 36.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.886 0.374 . . . . 0.0 111.542 -175.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.47 78.55 0.27 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.427 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 1.1 mp -62.04 137.88 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 0.0 111.569 -175.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 10.7 mmtt -124.13 160.33 52.74 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.044 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.16 -18.85 24.94 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.13 2.553 . . . . 0.0 112.273 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.705 ' CE2' ' HB3' ' A' ' 20' ' ' SER . 17.8 m-85 -128.85 119.6 24.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.427 ' OE1' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -134.99 136.39 42.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.802 0.334 . . . . 0.0 111.591 -173.501 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -77.86 131.62 69.9 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.306 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -87.89 -1.57 7.24 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.424 2.083 . . . . 0.0 112.53 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -99.3 -54.56 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.517 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.495 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.8 m -98.74 -12.77 20.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.625 0.25 . . . . 0.0 110.802 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.473 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 5.3 t70 71.32 32.83 2.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.021 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.575 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 7.1 m95 -73.36 137.49 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.865 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.99 133.45 56.02 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.997 0.427 . . . . 0.0 111.082 -176.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 59.8 m-85 -134.32 137.45 44.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.299 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -9.0 58.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.29 0.567 . . . . 0.0 109.914 177.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 133.9 54.74 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 122.137 0.97 . . . . 0.0 111.304 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.705 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 4.0 p -60.21 -43.5 95.93 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 113.266 -1.788 . . . . 0.0 111.362 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -37.1 80.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.0 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 2.0 m170 -67.16 -42.91 83.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.333 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.572 HD23 ' HB3' ' A' ' 8' ' ' PHE . 40.3 tp -63.9 -45.57 88.72 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.233 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -35.56 80.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.26 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.588 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -69.77 -25.3 63.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.089 0.471 . . . . 0.0 110.401 179.203 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -87.59 -44.55 11.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.439 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -77.25 6.46 6.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.03 -176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 2.3 ptmt -66.19 -31.59 72.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.968 0.413 . . . . 0.0 110.187 175.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -91.4 17.44 8.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 178.035 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -119.11 11.72 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.398 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.6 mtt -86.78 -27.15 23.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.326 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.0 mt 60.3 43.77 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.133 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.248 0.989 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.589 176.835 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.67 133.05 45.77 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.96 110.97 23.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.804 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.18 -51.39 5.35 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.711 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.7 mm -103.62 110.77 30.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.982 0.42 . . . . 0.0 109.886 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.568 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -100.99 161.59 23.25 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.82 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -59.6 -13.21 20.38 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 123.197 2.598 . . . . 0.0 112.546 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.766 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 23.6 m-85 -128.8 113.86 15.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.186 176.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -127.91 140.06 52.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.893 0.377 . . . . 0.0 111.326 -173.283 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -84.1 127.33 67.18 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.531 174.066 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -89.4 6.57 4.4 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.832 2.355 . . . . 0.0 112.457 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -106.75 -45.18 4.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.772 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.651 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -110.43 -7.62 14.76 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.408 -0.117 . . . . 0.0 111.189 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.22 38.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.042 -175.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.651 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 9.2 m95 -83.9 153.36 24.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.636 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.568 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -133.65 132.88 41.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.914 0.388 . . . . 0.0 110.999 -178.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 61.4 m-85 -134.6 138.98 45.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.461 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.25 -7.44 59.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.213 0.53 . . . . 0.0 110.334 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -123.0 130.38 52.73 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.982 0.896 . . . . 0.0 110.458 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.766 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 8.0 p -62.07 -35.16 77.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 113.773 -1.558 . . . . 0.0 110.822 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.26 -32.33 73.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.066 176.512 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.462 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 3.0 m170 -75.13 -39.54 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.243 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 8' ' ' PHE . 41.3 tp -65.74 -45.87 81.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.094 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -70.22 -40.4 74.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.297 177.309 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -74.72 -37.57 62.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.439 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 1.6 mtp180 -85.46 11.13 11.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.72 -175.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -68.39 -28.8 67.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 109.963 176.653 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.55 18.47 9.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.288 175.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 9.0 m-70 -123.14 33.08 5.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.33 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.52 -44.3 17.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.038 -178.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 mt -97.71 46.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.305 176.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.273 0 CA-C-O 118.23 -0.89 . . . . 0.0 109.932 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.125 -0.39 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.481 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -69.29 110.77 4.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.636 0.255 . . . . 0.0 110.485 -179.331 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -12.13 52.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.805 -173.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.05 -79.87 1.46 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.564 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 2' ' ' SER . 29.4 mm -85.65 108.15 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.745 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 1.1 mptt -84.41 159.62 58.46 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.803 -175.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -60.69 -23.72 76.8 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.013 2.475 . . . . 0.0 112.093 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.786 ' HB3' HD21 ' A' ' 23' ' ' LEU . 22.4 m-85 -112.07 106.69 15.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.119 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.584 ' NE2' ' HA ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -123.8 139.51 53.9 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.233 -170.656 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 t -84.03 125.95 71.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.622 176.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -82.2 -0.39 10.22 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.538 2.159 . . . . 0.0 112.407 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -101.06 -55.85 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.711 0.291 . . . . 0.0 111.743 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.573 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.5 m -98.74 -9.21 24.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.084 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.584 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER 70.42 29.61 3.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.21 -174.62 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.573 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.5 m95 -71.65 151.62 43.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.12 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.745 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -128.98 131.0 47.39 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.772 0.32 . . . . 0.0 111.117 -178.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 67.8 m-85 -132.51 134.78 45.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.354 -178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -9.5 58.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.126 0.488 . . . . 0.0 109.888 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -115.68 131.66 56.87 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 121.66 0.743 . . . . 0.0 110.392 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.612 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 20.4 p -60.42 -42.93 97.04 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.007 -1.452 . . . . 0.0 110.524 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -32.65 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.053 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -71.2 -39.78 71.57 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.762 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 8' ' ' PHE . 16.4 tp -65.94 -43.32 88.34 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -35.35 78.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.604 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 HD22 ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -65.87 -25.98 67.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.132 0.492 . . . . 0.0 110.59 176.561 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 73.0 t60 -90.2 -38.49 13.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.913 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 3.1 mtp180 -88.53 -3.86 58.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.294 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.466 ' HE2' HD22 ' A' ' 25' ' ' LEU . 32.8 pttt -69.08 -32.96 72.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.771 0.319 . . . . 0.0 110.536 177.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -77.18 -18.13 58.03 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.14 0.495 . . . . 0.0 109.791 175.7 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 7.2 m-70 -77.3 -12.36 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.235 176.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.66 3.19 29.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.222 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mt 60.16 48.73 8.01 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.208 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.029 177.692 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -25.92 65.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.218 0.532 . . . . 0.0 111.382 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.81 9.06 40.53 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.127 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.14 54.31 0.77 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.032 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.4 mm -80.02 135.15 26.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.462 ' H ' ' HB3' ' A' ' 16' ' ' SER . 0.6 OUTLIER -105.22 159.98 27.58 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.803 -177.366 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -59.58 -18.97 50.22 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.234 2.622 . . . . 0.0 112.841 -175.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 28.6 m-85 -119.66 100.09 7.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.735 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.35 141.52 45.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.707 -173.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -82.79 131.03 55.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.668 173.304 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -87.39 3.6 6.36 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.766 2.311 . . . . 0.0 112.421 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -105.7 -54.83 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 111.86 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.591 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -100.65 -6.89 24.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 68.3 31.71 5.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.793 -174.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.591 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 7.9 m95 -72.8 153.63 41.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.25 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.462 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 7.1 m -134.4 129.4 35.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.755 0.312 . . . . 0.0 110.466 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.52 ' CD1' HD11 ' A' ' 23' ' ' LEU . 75.0 m-85 -127.1 139.44 52.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.214 -177.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -15.7 51.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.201 0.524 . . . . 0.0 110.083 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.99 132.48 56.69 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 121.809 0.814 . . . . 0.0 110.729 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.548 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 79.7 p -61.69 -37.65 84.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.609 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -61.29 -39.81 91.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.79 176.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 1.9 m170 -68.78 -41.14 79.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.637 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.52 HD11 ' CD1' ' A' ' 17' ' ' PHE . 20.3 tp -66.08 -41.46 90.65 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.285 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.95 86.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.428 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.55 -29.62 70.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.144 0.497 . . . . 0.0 110.414 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.436 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 81.3 t60 -87.45 -38.3 16.22 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.362 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 27' ' ' ARG . 1.2 mtp180 -89.26 -5.57 57.5 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.149 -0.344 . . . . 0.0 111.816 -173.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.533 ' HA ' ' HE2' ' A' ' 31' ' ' MET . 18.8 pttp -73.3 -27.73 61.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 110.193 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -85.61 6.64 26.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.23 174.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 4.4 m-70 -101.97 3.28 38.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.533 ' HE2' ' HA ' ' A' ' 28' ' ' LYS . 50.4 mtt -81.46 -8.7 59.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.776 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.96 43.85 5.03 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.274 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.246 0.877 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.475 179.187 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.24 148.37 48.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.732 0.301 . . . . 0.0 110.745 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.435 ' HB ' HG12 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -83.71 170.16 14.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.79 52.55 4.44 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.52 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.435 HG12 ' HB ' ' A' ' 3' ' ' THR . 51.2 mm -70.46 121.99 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.17 0.509 . . . . 0.0 111.242 -176.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -101.95 159.97 27.84 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.124 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -55.51 -23.83 41.29 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 123.18 2.587 . . . . 0.0 112.335 -175.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.753 ' HB3' HD21 ' A' ' 23' ' ' LEU . 26.7 m-85 -118.11 100.96 7.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.747 178.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.86 143.39 48.93 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.029 -174.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 t -81.39 127.41 73.61 Favored Pre-proline 0 N--CA 1.447 -0.604 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.392 176.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.11 7.55 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.729 2.286 . . . . 0.0 112.18 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.16 -53.82 2.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.475 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.708 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.2 m -106.1 -2.6 22.46 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -176.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 67.18 28.68 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.326 0.584 . . . . 0.0 110.503 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.708 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.0 m95 -72.57 144.22 47.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 174.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -129.85 126.92 39.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.033 0.444 . . . . 0.0 110.577 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.53 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 58.6 m-85 -126.76 140.39 52.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.282 -176.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.09 -10.47 57.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.284 0.564 . . . . 0.0 109.904 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -120.8 135.1 55.24 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 121.979 0.895 . . . . 0.0 111.073 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.723 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 2.6 p -61.08 -41.59 96.93 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 113.456 -1.702 . . . . 0.0 111.075 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.438 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.87 -36.24 83.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.716 177.629 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 3.6 m170 -67.99 -40.28 83.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.743 0.306 . . . . 0.0 110.65 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.753 HD21 ' HB3' ' A' ' 8' ' ' PHE . 34.2 tp -64.86 -44.74 88.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.166 176.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -33.87 76.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.918 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -65.6 -29.91 70.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.294 177.484 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 69.0 t60 -86.62 -46.25 10.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.927 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -77.49 2.68 15.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.534 -175.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.944 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 2.6 ptpt -66.49 -30.13 70.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 110.24 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 16.0 ptp180 -82.38 -2.93 54.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.805 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 19.3 m-70 -101.95 30.47 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.795 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.944 ' HE3' ' HA ' ' A' ' 28' ' ' LYS . 17.7 mtt -108.61 1.27 21.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.771 -175.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 59.16 33.85 22.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.864 -179.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.747 178.06 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.66 69.08 10.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.855 0.359 . . . . 0.0 110.374 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.721 ' HB ' HG12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -78.8 136.91 37.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.026 -176.435 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.01 50.73 3.96 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.088 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.721 HG12 ' HB ' ' A' ' 3' ' ' THR . 22.2 mm -83.44 137.79 20.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.225 0.536 . . . . 0.0 110.728 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.713 ' H ' ' HB3' ' A' ' 16' ' ' SER . 0.1 OUTLIER -96.68 165.31 16.26 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.084 178.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -55.14 -22.76 33.2 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 123.19 2.593 . . . . 0.0 112.183 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.829 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 20.8 m-85 -118.99 127.74 53.74 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.39 138.11 41.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.244 0.545 . . . . 0.0 111.689 -171.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -80.07 129.92 68.3 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.281 174.84 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -88.49 5.13 5.32 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.501 2.134 . . . . 0.0 112.632 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -109.29 -51.39 2.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -176.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.542 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -102.7 -6.34 22.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 178.047 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 69.23 35.13 2.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.435 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.542 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.1 m95 -76.65 153.18 35.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.835 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.713 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 1.4 m -131.11 130.37 43.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.714 0.292 . . . . 0.0 110.741 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 84.2 m-85 -127.87 138.06 52.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.77 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -16.3 58.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.274 0.559 . . . . 0.0 110.388 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -120.36 130.48 54.42 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 121.895 0.855 . . . . 0.0 110.633 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.829 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 5.0 p -61.42 -35.87 78.75 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 113.699 -1.591 . . . . 0.0 110.525 178.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -38.81 92.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.053 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -71.71 -36.82 70.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.564 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.681 HD23 ' HB3' ' A' ' 8' ' ' PHE . 17.6 tp -65.41 -42.54 92.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.142 176.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.01 74.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.652 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.73 -25.84 64.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.794 177.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -90.79 -32.65 16.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.49 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' O ' ' HG3' ' A' ' 31' ' ' MET . 0.1 OUTLIER -90.22 19.4 5.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.508 -175.326 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.67 -46.42 79.2 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.85 5.8 5.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.082 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -113.69 -2.84 13.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.165 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 27.1 mtm -105.45 12.18 31.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.337 0.589 . . . . 0.0 110.634 -175.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.03 50.55 1.29 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.266 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.899 -178.584 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -32.6 72.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.051 0.453 . . . . 0.0 111.421 -177.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.26 7.35 38.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.729 177.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.04 -46.94 5.46 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.189 175.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.2 mm -78.73 131.62 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 173.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.461 ' H ' ' HB3' ' A' ' 16' ' ' SER . 1.4 mttm -120.33 159.24 48.53 Favored Pre-proline 0 C--N 1.323 -0.581 0 C-N-CA 121.194 -0.202 . . . . 0.0 110.723 -175.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.81 -24.69 57.17 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.373 2.715 . . . . 0.0 112.723 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.637 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 44.0 m-85 -112.12 95.97 5.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.896 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.31 137.69 48.74 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.853 -176.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.9 t -79.51 124.25 83.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 175.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.91 4.07 7.26 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.58 2.187 . . . . 0.0 112.356 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -105.72 -47.56 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.536 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.574 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.5 m -111.95 -4.53 14.51 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t0 69.13 35.98 2.56 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.588 0.709 . . . . 0.0 110.203 -177.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 10.4 m95 -83.7 151.76 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.634 175.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.461 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -131.63 127.97 38.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.914 0.387 . . . . 0.0 111.394 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.523 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 43.4 m-85 -129.11 141.11 51.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.204 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -16.63 47.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.966 0.412 . . . . 0.0 110.437 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -119.7 133.66 55.54 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 122.102 0.953 . . . . 0.0 111.258 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.637 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.1 p -57.19 -42.61 81.53 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.089 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.514 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.28 -30.53 71.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.538 179.494 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.514 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 9.7 m170 -72.95 -44.45 61.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.44 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 8' ' ' PHE . 19.8 tp -62.72 -43.49 98.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.164 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.25 -33.97 76.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.765 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.509 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -70.46 -25.34 63.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.739 177.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -86.62 -41.29 14.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 5.4 mtp180 -84.67 4.89 30.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.489 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -67.01 -27.38 67.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.307 0.575 . . . . 0.0 109.936 175.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -92.33 19.65 6.88 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.267 176.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 7.6 m-70 -121.05 33.69 5.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.811 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mmt -86.28 -31.68 21.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.487 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.59 86.21 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.149 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.853 -0.594 . . . . 0.0 110.103 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 58.42 35.83 25.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.285 0.564 . . . . 0.0 111.211 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.96 -4.03 14.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.257 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.97 -47.87 4.59 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.855 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.437 HD13 HG22 ' A' ' 5' ' ' ILE . 27.3 mm -72.3 141.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -130.74 162.72 53.37 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.994 179.658 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -59.27 -14.17 23.2 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.489 2.793 . . . . 0.0 112.683 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.696 ' HB3' HD21 ' A' ' 23' ' ' LEU . 37.5 m-85 -123.13 108.63 13.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.385 177.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.02 139.55 53.83 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.611 -171.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 4.4 t -82.95 122.51 77.95 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.02 -0.24 10.59 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.404 2.069 . . . . 0.0 112.092 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -98.81 -54.36 3.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.663 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.555 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 3.2 m -102.58 -7.12 22.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.472 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t0 71.02 28.71 3.1 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.708 0.63 . . . . 0.0 109.994 -175.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.555 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 6.2 m95 -72.81 153.3 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.811 177.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -134.52 128.19 32.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.031 0.444 . . . . 0.0 110.931 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CD1' HD12 ' A' ' 23' ' ' LEU . 57.5 m-85 -127.73 140.26 52.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.238 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.31 -13.6 52.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.323 0.583 . . . . 0.0 110.145 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 19' ' ' ARG . 6.0 mtp85 -115.84 131.85 56.82 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-O 121.871 0.843 . . . . 0.0 110.595 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.688 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 8.3 p -60.53 -39.4 87.71 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 113.661 -1.609 . . . . 0.0 110.808 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.501 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.23 -32.42 74.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.086 178.046 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.501 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 3.6 m170 -73.28 -39.62 65.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.878 0.37 . . . . 0.0 110.51 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 ' HB3' ' A' ' 8' ' ' PHE . 28.2 tp -65.18 -43.79 90.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.106 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.66 78.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mt -65.24 -24.58 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.542 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.521 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 72.7 t60 -93.73 -38.63 11.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.873 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 1.4 mtp-105 -85.24 -8.13 58.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.233 -0.292 . . . . 0.0 111.744 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -32.01 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.372 . . . . 0.0 110.673 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 7.5 ptp180 -74.63 -16.81 60.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -87.85 -28.78 21.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.55 0.69 . . . . 0.0 109.583 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.8 mtt -77.57 -47.83 18.45 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.053 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.6 tp -113.07 86.3 2.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.014 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.193 -0.908 . . . . 0.0 109.855 179.277 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.594 -0.602 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -101.88 118.7 37.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 175.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.18 8.64 44.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.205 0.526 . . . . 0.0 110.703 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.32 58.99 5.02 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.405 ' HA ' HD13 ' A' ' 5' ' ' ILE . 36.5 mm -60.79 135.53 25.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.937 -0.632 . . . . 0.0 111.111 -173.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.599 ' H ' ' HB3' ' A' ' 16' ' ' SER . 2.3 mttt -111.85 164.5 14.98 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.531 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 6' ' ' LYS . 6.7 Cg_endo -53.53 -28.49 45.54 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.34 2.693 . . . . 0.0 112.209 -177.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.81 ' HB3' HD21 ' A' ' 23' ' ' LEU . 14.8 m-85 -109.59 128.55 55.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.968 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -145.73 141.57 28.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.16 0.505 . . . . 0.0 111.683 -172.405 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -84.08 128.54 62.18 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.932 175.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -85.08 2.6 7.83 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.611 2.208 . . . . 0.0 112.551 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -103.46 -50.46 3.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.92 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.492 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 3.2 m -103.24 -10.4 18.78 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.387 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t0 73.49 32.81 1.15 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.86 0.725 . . . . 0.0 109.849 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.511 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 5.1 m95 -78.07 148.76 34.11 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.129 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.599 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -126.34 135.44 51.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.784 0.326 . . . . 0.0 110.802 178.389 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' HD1' HD13 ' A' ' 23' ' ' LEU . 64.0 m-85 -134.17 137.92 44.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.1 -13.6 52.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.25 0.548 . . . . 0.0 110.154 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -121.28 132.4 54.78 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 122.031 0.919 . . . . 0.0 110.707 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 4.8 p -61.58 -36.2 79.99 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 113.49 -1.686 . . . . 0.0 110.905 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -33.7 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.982 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.33 -39.98 62.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.81 HD21 ' HB3' ' A' ' 8' ' ' PHE . 15.0 tp -65.37 -42.16 93.02 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.198 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.09 -27.25 67.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -20.29 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.237 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -97.28 -46.74 6.0 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.044 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.9 -3.14 46.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -173.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -61.07 -35.25 76.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.807 0.336 . . . . 0.0 110.769 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -12.65 59.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.182 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -84.29 -35.57 23.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.39 0.614 . . . . 0.0 110.652 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.71 -1.95 52.05 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.618 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.3 mt 62.96 54.21 2.23 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.226 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.4 t . . . . . 0 C--O 1.248 1.018 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.296 -178.827 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.59 130.38 34.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.902 0.382 . . . . 0.0 110.367 177.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -79.33 142.42 36.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.063 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' O ' ' HE3' ' A' ' 6' ' ' LYS . . . -158.12 76.06 0.2 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.1 mm -67.43 117.34 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.216 0.531 . . . . 0.0 111.105 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.705 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 1.4 mttt -101.25 162.06 21.69 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.904 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -55.37 -23.83 40.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.119 2.546 . . . . 0.0 112.386 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.794 ' HB3' HD22 ' A' ' 23' ' ' LEU . 23.7 m-85 -116.97 114.92 24.5 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.615 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.88 135.24 49.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.029 0.443 . . . . 0.0 111.385 -173.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -77.12 128.17 81.66 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.942 175.553 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -87.19 8.57 4.28 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.769 2.312 . . . . 0.0 112.533 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -109.54 -51.7 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.751 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.6 m -107.39 -10.38 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.933 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.92 39.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.025 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.751 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 10.8 m95 -81.17 145.23 31.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.289 175.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.705 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -121.88 132.88 54.8 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.11 -177.153 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.9 m-85 -135.69 139.08 43.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -176.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.26 -11.12 50.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.153 0.501 . . . . 0.0 110.219 178.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -122.18 133.61 54.73 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.906 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 87.6 p -59.75 -39.09 83.65 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.017 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -36.86 85.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.62 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -69.04 -40.42 78.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.794 HD22 ' HB3' ' A' ' 8' ' ' PHE . 27.0 tp -65.03 -44.63 88.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.24 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.37 75.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.224 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -21.94 65.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.164 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -94.84 -41.45 9.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.337 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 4.7 mtp180 -84.24 14.19 4.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.756 -176.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -33.51 73.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.96 21.7 3.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.126 174.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -126.07 23.94 7.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.744 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 47.0 mtt -82.13 -31.35 30.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.509 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.46 73.76 2.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.415 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.196 178.456 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.9 35.31 4.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.086 0.469 . . . . 0.0 110.57 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 t -80.22 179.72 7.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.293 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' HD2' ' A' ' 6' ' ' LYS . . . -119.58 67.44 0.39 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.767 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 mm -63.26 126.54 21.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.364 0.602 . . . . 0.0 110.984 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.579 ' H ' ' HB3' ' A' ' 16' ' ' SER . 3.9 mptt -104.37 162.12 20.82 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.812 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -55.63 -25.34 49.85 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.214 2.609 . . . . 0.0 112.195 -177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.726 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 14.5 m-85 -114.71 120.94 41.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.335 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -132.87 142.28 48.85 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.842 -171.217 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -87.96 122.94 69.79 Favored Pre-proline 0 N--CA 1.446 -0.638 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.567 174.388 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -84.7 11.05 3.49 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.349 2.033 . . . . 0.0 112.239 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -106.35 -52.68 2.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.088 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.743 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.1 m -107.18 -2.34 20.98 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -178.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.443 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 9.0 t0 69.53 31.21 3.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.345 0.593 . . . . 0.0 110.217 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.743 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 9.9 m95 -78.93 151.55 31.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.903 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.579 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 1.3 m -133.49 134.69 43.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.85 0.357 . . . . 0.0 110.809 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.518 ' HD1' HD13 ' A' ' 23' ' ' LEU . 73.4 m-85 -134.16 139.81 46.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.331 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -11.6 57.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.118 0.485 . . . . 0.0 110.156 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -115.33 130.3 56.86 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.992 0.901 . . . . 0.0 110.931 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.726 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 7.0 p -60.93 -34.56 74.9 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.416 -1.72 . . . . 0.0 110.557 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -29.25 62.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.797 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -74.87 -40.42 60.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.565 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.518 HD13 ' HD1' ' A' ' 17' ' ' PHE . 29.2 tp -64.15 -44.23 92.76 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.0 79.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.68 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -67.73 -30.48 69.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 178.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -85.43 -29.57 24.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.957 0.408 . . . . 0.0 111.016 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 3.1 mtp180 -92.46 12.41 22.92 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 122.086 -0.384 . . . . 0.0 111.104 -177.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.407 ' HE3' ' HA ' ' A' ' 25' ' ' LEU . 80.7 mttt -64.07 -46.3 84.93 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.189 0.518 . . . . 0.0 110.117 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' A' ' 32' ' ' LEU . 4.3 ptm180 -68.94 -21.31 64.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.475 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 12.9 m-70 -83.54 -13.07 55.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.4 mtt -93.75 1.31 56.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.136 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.693 HD12 ' HA ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -77.16 69.19 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.872 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.054 -179.735 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.81 155.24 17.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.765 0.317 . . . . 0.0 110.205 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.84 137.46 36.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.725 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.06 -49.44 6.36 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.38 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.8 mm -91.18 139.39 17.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -116.57 160.17 37.4 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.345 -178.337 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -61.19 -21.04 70.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.303 2.669 . . . . 0.0 112.734 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.686 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 45.6 m-85 -114.4 97.6 6.42 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 143.16 45.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.42 -174.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 t -85.38 126.34 67.23 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.322 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -83.82 -5.07 10.66 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.582 2.188 . . . . 0.0 111.914 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -93.52 -50.52 5.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.422 -177.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.769 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.3 m -106.31 -10.99 16.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.709 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 72.26 33.12 1.58 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.607 0.567 . . . . 0.0 110.584 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.769 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 21.4 m95 -77.75 154.6 31.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.53 175.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.87 130.38 43.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.955 0.407 . . . . 0.0 111.015 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 62.3 m-85 -130.54 139.91 50.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.952 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -9.69 55.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.471 0.653 . . . . 0.0 109.905 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -121.19 134.07 55.2 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 122.209 1.004 . . . . 0.0 111.062 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.686 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 4.2 p -58.42 -44.2 89.01 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 112.907 -1.952 . . . . 0.0 111.024 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.71 -32.97 74.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.28 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.563 ' HA ' HD23 ' A' ' 25' ' ' LEU . 4.1 m170 -72.8 -41.64 64.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.525 178.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 8' ' ' PHE . 17.3 tp -62.96 -43.25 99.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.962 176.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.3 79.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.563 HD23 ' HA ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -68.18 -23.0 64.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 177.735 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.419 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 67.8 t60 -92.23 -35.72 13.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.169 0.509 . . . . 0.0 110.83 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -90.37 1.02 57.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.773 -173.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HE3' ' O ' ' A' ' 25' ' ' LEU . 20.5 pttp -71.27 -30.46 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.381 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 15.9 ptp180 -70.32 -25.27 63.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.384 0.611 . . . . 0.0 110.18 174.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -78.64 -13.61 59.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.538 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.8 mtt -90.49 0.7 57.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.324 174.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.0 mt 59.8 41.93 17.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.048 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.198 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.68 69.22 2.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.044 0.449 . . . . 0.0 110.633 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.99 116.45 19.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -177.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.82 -38.02 4.53 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.916 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.8 mm -76.83 110.49 12.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.051 0.453 . . . . 0.0 111.213 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 161.2 24.04 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.831 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -55.64 -30.01 73.19 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.957 2.438 . . . . 0.0 111.82 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.744 ' CE2' ' HB3' ' A' ' 20' ' ' SER . 13.3 m-85 -114.26 113.22 24.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.235 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.28 135.86 37.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.632 -173.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.91 126.28 80.26 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.63 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -83.79 -5.11 10.68 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.665 2.244 . . . . 0.0 111.512 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -91.83 -48.44 6.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.277 -177.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.67 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.2 m -113.17 -4.27 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 66.05 34.33 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.223 0.535 . . . . 0.0 110.484 -175.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.67 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 13.3 m95 -79.98 135.76 36.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.486 175.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.2 128.45 54.23 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.965 0.412 . . . . 0.0 111.514 -174.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.564 ' CD1' HD12 ' A' ' 23' ' ' LEU . 38.7 m-85 -131.32 138.03 49.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.606 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -7.65 58.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.146 0.498 . . . . 0.0 110.194 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -122.5 136.2 54.83 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-O 122.01 0.91 . . . . 0.0 110.595 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.744 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 2.5 p -61.2 -41.25 96.5 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 113.365 -1.743 . . . . 0.0 110.844 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' OD1' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.22 -29.13 69.9 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.081 177.56 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.44 ' HD2' ' OD1' ' A' ' 21' ' ' ASP . 5.5 m170 -71.54 -41.94 68.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.057 0.456 . . . . 0.0 110.503 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD12 ' CD1' ' A' ' 17' ' ' PHE . 33.0 tp -67.04 -45.09 78.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.179 178.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.75 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.847 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -70.89 -18.78 62.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.515 177.079 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -99.56 -44.53 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 0.0 110.482 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -78.81 2.51 19.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.401 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.6 OUTLIER -61.65 -39.34 90.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.784 176.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.79 -12.05 60.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -84.28 -23.51 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.411 0.625 . . . . 0.0 109.891 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -37.14 83.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.459 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -110.91 44.45 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.65 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.266 -0.874 . . . . 0.0 109.809 177.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.91 109.55 20.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.07 0.462 . . . . 0.0 110.983 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.8 0.64 30.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.391 0.615 . . . . 0.0 110.472 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.78 -68.07 1.52 Allowed Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.431 176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.0 mm -83.62 124.32 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.677 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -109.58 159.62 30.87 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.675 -177.351 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -57.93 -27.95 80.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.207 2.605 . . . . 0.0 112.308 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.718 ' HB3' HD22 ' A' ' 23' ' ' LEU . 21.4 m-85 -110.39 104.22 12.96 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.193 176.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.16 135.67 54.44 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.189 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -79.63 131.88 63.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.066 176.668 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -91.36 1.76 4.55 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.957 2.438 . . . . 0.0 112.373 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.44 -42.74 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.275 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.706 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.7 m -117.78 -4.14 11.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.37 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 t0 68.0 36.31 3.4 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.294 0.569 . . . . 0.0 110.165 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.706 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.9 m95 -80.51 149.41 30.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.011 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.677 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -128.48 130.94 48.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.862 0.363 . . . . 0.0 111.282 -176.828 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 48.5 m-85 -135.38 135.89 41.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.483 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.08 -13.65 55.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.163 0.506 . . . . 0.0 110.31 178.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -118.26 134.65 54.84 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.908 0.861 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.654 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.5 p -62.75 -39.47 94.24 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 113.791 -1.55 . . . . 0.0 111.226 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -64.81 -34.66 78.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.784 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -67.56 -42.6 82.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.64 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 8' ' ' PHE . 28.3 tp -64.18 -43.0 96.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.19 177.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.76 76.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.967 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.6 mp -70.13 -18.48 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.539 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -96.09 -43.28 7.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.476 0.655 . . . . 0.0 109.931 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -82.08 9.89 7.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.579 -175.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.78 -30.36 71.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.222 0.534 . . . . 0.0 109.999 175.517 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 16.81 18.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.606 178.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -115.98 21.81 13.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.116 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.7 mtt -109.66 17.92 20.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.209 -175.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.14 35.14 8.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.743 -176.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.915 176.594 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.475 ' HD3' ' HD2' ' A' ' 7' ' ' PRO . 7.8 mmtp . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.475 ' HD2' ' HD3' ' A' ' 6' ' ' LYS . 11.4 Cg_endo -59.57 -21.71 63.47 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.068 2.512 . . . . 0.0 112.374 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.698 ' HB3' HD22 ' A' ' 23' ' ' LEU . 19.0 m-85 -122.38 109.43 14.39 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.53 142.05 51.63 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.981 0.419 . . . . 0.0 111.837 -172.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -82.22 127.88 69.75 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.177 173.224 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -86.13 4.73 6.33 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.615 2.21 . . . . 0.0 112.199 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -104.46 -55.94 2.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.386 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.8 m -97.84 -12.23 22.39 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 t0 72.33 35.51 1.19 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.719 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.581 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 3.1 m95 -75.49 151.83 37.95 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.693 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.88 129.85 44.45 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.973 0.416 . . . . 0.0 110.869 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.9 m-85 -129.81 137.94 50.76 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.383 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -13.61 55.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.799 178.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.453 ' HB3' ' OD1' ' A' ' 21' ' ' ASP . 2.6 mtm-85 -121.12 138.25 54.29 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.263 1.03 . . . . 0.0 111.77 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.671 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 6.3 p -63.24 -43.3 98.44 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.764 -177.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' OD1' ' HB3' ' A' ' 19' ' ' ARG . 13.9 p-10 -66.83 -30.84 71.12 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.022 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -69.88 -40.7 75.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.314 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.698 HD22 ' HB3' ' A' ' 8' ' ' PHE . 21.5 tp -65.59 -43.74 88.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.271 177.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.86 -36.67 84.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.804 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.47 66.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.711 177.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 74.2 t60 -96.53 -45.57 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.014 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.66 -9.73 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -173.41 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -30.35 71.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.666 0.27 . . . . 0.0 110.622 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 2.8 ptp180 -74.19 -11.4 60.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.976 0.417 . . . . 0.0 110.614 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 121.497 0.665 . . . . 0.0 109.974 177.739 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mttt . . . . . 0 C--O 1.234 0.288 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -59.38 -16.77 36.76 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.299 2.666 . . . . 0.0 112.633 -174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.732 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 31.1 m-85 -122.19 101.75 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.824 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.76 137.05 50.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.414 -173.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -77.4 130.46 74.37 Favored Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.736 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -88.06 6.5 4.92 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.816 2.344 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -107.7 -55.33 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.0 111.503 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.579 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.8 m -102.11 -6.19 23.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.086 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t0 68.4 34.04 3.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.169 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 6.7 m95 -74.57 160.34 31.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.865 176.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.55 129.73 29.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 74.3 m-85 -130.09 140.87 50.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.368 -178.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -12.18 52.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.361 0.601 . . . . 0.0 109.719 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -117.67 130.81 56.58 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 122.187 0.994 . . . . 0.0 110.72 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.732 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.6 p -60.59 -36.26 78.12 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 113.316 -1.765 . . . . 0.0 110.773 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -36.03 81.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.779 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -69.92 -40.61 75.46 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.66 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.654 HD22 ' HB3' ' A' ' 8' ' ' PHE . 35.6 tp -63.41 -45.12 92.48 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.27 87.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.973 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.34 -30.53 70.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.998 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -83.45 -28.17 28.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.279 0.562 . . . . 0.0 110.188 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -94.2 12.86 25.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.591 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -67.13 -40.14 86.73 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -0.67 24.33 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.87 176.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.89 178.842 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.862 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.146 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -57.75 -25.62 69.38 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.854 2.369 . . . . 0.0 111.847 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.825 ' HB3' HD22 ' A' ' 23' ' ' LEU . 6.4 m-85 -119.39 114.54 22.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.507 175.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.81 136.55 51.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.041 0.448 . . . . 0.0 111.434 -174.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.88 130.71 84.81 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.416 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -86.03 5.46 5.99 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.551 2.167 . . . . 0.0 112.424 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -109.9 -50.16 3.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.847 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.559 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -106.98 -8.98 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.309 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 69.17 30.16 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.223 -173.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.559 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.9 m95 -70.19 134.62 48.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.269 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.862 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -117.18 129.96 56.29 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.296 -174.835 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 75.1 m-85 -129.31 141.73 51.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.701 -176.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -8.93 55.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.377 0.608 . . . . 0.0 109.85 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -124.08 130.0 51.83 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.868 0.842 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.81 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 3.4 p -63.35 -38.62 91.85 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.189 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -30.79 71.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.613 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -73.89 -38.73 64.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.459 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 8' ' ' PHE . 19.0 tp -64.82 -41.85 95.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.856 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.44 79.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.739 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.62 -16.79 64.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.058 177.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -99.74 -47.25 5.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.22 0.533 . . . . 0.0 110.387 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -76.12 -3.63 37.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.901 -175.102 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -65.73 -32.56 74.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.213 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.15 -19.4 63.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.61 175.316 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.765 177.688 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.703 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.146 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -59.81 -22.26 67.35 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.328 2.685 . . . . 0.0 111.977 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.755 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 25.0 m-85 -117.17 120.54 38.61 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.393 -0.822 . . . . 0.0 108.979 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 140.71 47.73 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.545 -170.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.8 t -81.92 130.02 62.3 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -88.37 4.86 5.47 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.505 2.136 . . . . 0.0 112.133 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -108.54 -50.62 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.603 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.795 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.4 m -102.99 -5.97 22.86 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 67.28 31.83 6.32 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.646 0.591 . . . . 0.0 110.276 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.795 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.1 m95 -74.22 154.72 38.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.456 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.703 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -132.45 132.45 42.76 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.968 0.413 . . . . 0.0 111.133 -177.593 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' HB3' ' A' ' 6' ' ' LYS . 77.2 m-85 -133.69 142.37 47.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.279 -177.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.15 -5.25 57.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.246 0.546 . . . . 0.0 110.083 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -125.33 129.46 50.0 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.934 0.873 . . . . 0.0 110.545 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.755 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 14.0 p -59.91 -39.15 84.43 Favored 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 113.716 -1.584 . . . . 0.0 110.859 178.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -32.82 74.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.227 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -38.04 56.81 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.93 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.646 HD22 ' HB3' ' A' ' 8' ' ' PHE . 35.5 tp -63.3 -44.26 95.51 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.58 83.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.608 HD23 ' HE3' ' A' ' 28' ' ' LYS . 8.7 mt -62.24 -38.45 89.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -73.34 -38.36 65.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.312 0.577 . . . . 0.0 110.143 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -86.39 8.07 23.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.919 -174.716 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.608 ' HE3' HD23 ' A' ' 25' ' ' LEU . 26.4 mttt -62.79 -41.65 99.36 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 110.166 175.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -18.79 61.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.551 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.406 0.622 . . . . 0.0 110.441 178.439 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.42 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 9.3 mttt . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.27 -17.55 26.67 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.246 2.63 . . . . 0.0 112.249 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.807 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 25.6 m-85 -124.78 110.94 14.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.296 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.02 135.26 48.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -172.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.29 128.15 78.98 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.995 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -84.19 2.1 8.37 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.581 2.187 . . . . 0.0 112.55 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -103.53 -43.61 5.34 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.553 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.581 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.8 m -113.82 -9.22 13.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t70 69.86 33.27 2.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.325 0.583 . . . . 0.0 109.896 -174.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.581 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 13.0 m95 -79.62 138.72 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.694 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.42 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -118.7 131.66 56.15 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.064 0.459 . . . . 0.0 111.054 -176.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 58.6 m-85 -131.84 138.73 48.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.427 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -82.55 -11.95 58.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.11 0.481 . . . . 0.0 110.382 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -119.97 133.33 55.59 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-O 122.103 0.954 . . . . 0.0 110.548 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.807 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 3.0 p -62.59 -36.5 82.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.795 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -37.43 87.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.679 176.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -40.74 80.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.742 0.306 . . . . 0.0 110.53 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 8' ' ' PHE . 29.5 tp -64.45 -44.51 90.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.137 176.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -33.91 77.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.54 -23.29 65.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -92.64 -44.65 8.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.39 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -77.13 -6.93 54.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -174.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -62.84 -33.27 74.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.976 0.417 . . . . 0.0 110.609 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -4.88 51.15 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 13.7 m-70 . . . . . 0 C--N 1.325 -0.491 0 CA-C-O 121.567 0.699 . . . . 0.0 109.204 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.774 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 8.5 mptt . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -58.77 -26.9 81.95 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 123.027 2.485 . . . . 0.0 111.889 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.741 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 14.0 m-85 -116.14 103.21 10.31 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.994 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -128.61 127.57 42.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.763 -169.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -73.52 129.38 85.66 Favored Pre-proline 0 N--CA 1.441 -0.92 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.591 175.691 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -88.7 1.43 6.27 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.604 2.203 . . . . 0.0 112.387 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.41 -56.84 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.696 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -100.15 -5.95 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.677 179.097 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t70 66.58 39.82 3.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.503 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.696 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 31.5 m95 -86.15 116.38 24.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.058 175.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.774 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -101.23 132.32 46.8 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.033 -176.376 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.0 m-85 -130.24 140.91 50.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.372 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -86.43 -7.56 58.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.225 0.536 . . . . 0.0 110.201 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -120.71 132.05 54.87 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 121.873 0.844 . . . . 0.0 110.753 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.741 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 5.1 p -59.66 -44.22 93.64 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.764 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -32.59 73.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.068 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.57 -40.76 63.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.154 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 8' ' ' PHE . 14.3 tp -68.79 -40.13 79.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.265 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.41 74.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.096 0.474 . . . . 0.0 110.244 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.418 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 2.8 mt -66.4 -28.15 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.336 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -89.4 -46.37 8.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.842 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.486 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -80.48 14.27 2.11 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -66.78 -30.28 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.116 0.484 . . . . 0.0 109.724 174.297 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.1 13.67 22.36 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.426 176.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.879 178.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 10.7 mmtt . . . . . 0 CA--C 1.519 -0.247 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.16 -18.85 24.94 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.13 2.553 . . . . 0.0 112.273 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.72 ' HB3' HD22 ' A' ' 23' ' ' LEU . 17.8 m-85 -128.85 119.6 24.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -134.99 136.39 42.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.802 0.334 . . . . 0.0 111.591 -173.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -77.86 131.62 69.9 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.306 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -87.89 -1.57 7.24 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.424 2.083 . . . . 0.0 112.53 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -99.3 -54.56 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.517 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.485 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.8 m -98.74 -12.77 20.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.625 0.25 . . . . 0.0 110.802 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.468 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 5.3 t70 71.32 32.83 2.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.021 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.591 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 7.1 m95 -73.36 137.49 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.865 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.99 133.45 56.02 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.997 0.427 . . . . 0.0 111.082 -176.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 59.8 m-85 -134.32 137.45 44.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.299 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -9.0 58.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.29 0.567 . . . . 0.0 109.914 177.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 133.9 54.74 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 122.137 0.97 . . . . 0.0 111.304 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.71 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 4.0 p -60.21 -43.5 95.93 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 113.266 -1.788 . . . . 0.0 111.362 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -37.1 80.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.0 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -67.16 -42.91 83.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.333 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 8' ' ' PHE . 40.3 tp -63.9 -45.57 88.72 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.233 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -35.56 80.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.26 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -69.77 -25.3 63.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.089 0.471 . . . . 0.0 110.401 179.203 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -87.59 -44.55 11.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.439 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -77.25 6.46 6.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.03 -176.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 2.3 ptmt -66.19 -31.59 72.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.968 0.413 . . . . 0.0 110.187 175.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -91.4 17.44 8.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 178.035 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.398 179.643 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.615 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -59.6 -13.21 20.38 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 123.197 2.598 . . . . 0.0 112.546 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.775 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 23.6 m-85 -128.8 113.86 15.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.186 176.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -127.91 140.06 52.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.893 0.377 . . . . 0.0 111.326 -173.283 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -84.1 127.33 67.18 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.531 174.066 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -89.4 6.57 4.4 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.832 2.355 . . . . 0.0 112.457 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -106.75 -45.18 4.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.772 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.655 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -110.43 -7.62 14.76 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.408 -0.117 . . . . 0.0 111.189 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.22 38.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.042 -175.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.655 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 9.2 m95 -83.9 153.36 24.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.636 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.615 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -133.65 132.88 41.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.914 0.388 . . . . 0.0 110.999 -178.836 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 61.4 m-85 -134.6 138.98 45.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.461 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.25 -7.44 59.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.213 0.53 . . . . 0.0 110.334 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -123.0 130.38 52.73 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.982 0.896 . . . . 0.0 110.458 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 8.0 p -62.07 -35.16 77.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 113.773 -1.558 . . . . 0.0 110.822 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -32.33 73.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.066 176.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.13 -39.54 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.243 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD22 ' HB3' ' A' ' 8' ' ' PHE . 41.3 tp -65.74 -45.87 81.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.094 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.22 -40.4 74.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.297 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -74.72 -37.57 62.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.439 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HE ' ' HB2' ' A' ' 30' ' ' HIS . 1.6 mtp180 -85.46 11.13 11.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.72 -175.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -28.8 67.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 109.963 176.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.55 18.47 9.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.288 175.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.493 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 9.0 m-70 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.33 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.767 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 1.1 mptt . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.77 0.319 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -60.69 -23.72 76.8 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.013 2.475 . . . . 0.0 112.093 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.707 ' HB3' HD22 ' A' ' 23' ' ' LEU . 22.4 m-85 -112.07 106.69 15.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.119 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.582 ' NE2' ' HA ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -123.8 139.51 53.9 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.233 -170.656 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 2.1 t -84.03 125.95 71.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.622 176.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -82.2 -0.39 10.22 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.538 2.159 . . . . 0.0 112.407 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -101.06 -55.85 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.711 0.291 . . . . 0.0 111.743 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.572 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.5 m -98.74 -9.21 24.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.084 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.582 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER 70.42 29.61 3.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.21 -174.62 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.572 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.5 m95 -71.65 151.62 43.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.12 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.767 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -128.98 131.0 47.39 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.772 0.32 . . . . 0.0 111.117 -178.869 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 67.8 m-85 -132.51 134.78 45.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.354 -178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -9.5 58.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.126 0.488 . . . . 0.0 109.888 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -115.68 131.66 56.87 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 121.66 0.743 . . . . 0.0 110.392 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.626 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 20.4 p -60.42 -42.93 97.04 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.007 -1.452 . . . . 0.0 110.524 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -32.65 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.053 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -71.2 -39.78 71.57 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.762 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' A' ' 8' ' ' PHE . 16.4 tp -65.94 -43.32 88.34 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -35.35 78.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.604 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.503 HD23 ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -65.87 -25.98 67.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.132 0.492 . . . . 0.0 110.59 176.561 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 73.0 t60 -90.2 -38.49 13.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.913 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 3.1 mtp180 -88.53 -3.86 58.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.294 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HE2' HD23 ' A' ' 25' ' ' LEU . 32.8 pttt -69.08 -32.96 72.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.771 0.319 . . . . 0.0 110.536 177.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -77.18 -18.13 58.03 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.14 0.495 . . . . 0.0 109.791 175.7 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 7.2 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.235 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.592 0.234 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -59.58 -18.97 50.22 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.234 2.622 . . . . 0.0 112.841 -175.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.775 ' HB3' HD22 ' A' ' 23' ' ' LEU . 28.6 m-85 -119.66 100.09 7.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.735 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.35 141.52 45.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.707 -173.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.477 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -82.79 131.03 55.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.668 173.304 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -87.39 3.6 6.36 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.766 2.311 . . . . 0.0 112.421 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -105.7 -54.83 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 111.86 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.592 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -100.65 -6.89 24.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 68.3 31.71 5.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.793 -174.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.592 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 7.9 m95 -72.8 153.63 41.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.25 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -134.4 129.4 35.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.755 0.312 . . . . 0.0 110.466 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 75.0 m-85 -127.1 139.44 52.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.214 -177.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -15.7 51.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.201 0.524 . . . . 0.0 110.083 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.99 132.48 56.69 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 121.809 0.814 . . . . 0.0 110.729 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 79.7 p -61.69 -37.65 84.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.609 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -39.81 91.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.79 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -41.14 79.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.637 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.775 HD22 ' HB3' ' A' ' 8' ' ' PHE . 20.3 tp -66.08 -41.46 90.65 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.285 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.95 86.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.428 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.55 -29.62 70.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.144 0.497 . . . . 0.0 110.414 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.458 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 81.3 t60 -87.45 -38.3 16.22 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.362 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 27' ' ' ARG . 1.2 mtp180 -89.26 -5.57 57.5 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.149 -0.344 . . . . 0.0 111.816 -173.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -73.3 -27.73 61.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 110.193 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -85.61 6.64 26.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.23 174.656 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 4.4 m-70 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 177.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mttt . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -55.51 -23.83 41.29 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 123.18 2.587 . . . . 0.0 112.335 -175.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.718 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 26.7 m-85 -118.11 100.96 7.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.747 178.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.86 143.39 48.93 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.029 -174.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.7 t -81.39 127.41 73.61 Favored Pre-proline 0 N--CA 1.447 -0.604 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.392 176.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.11 7.55 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.729 2.286 . . . . 0.0 112.18 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.16 -53.82 2.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.475 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.714 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.2 m -106.1 -2.6 22.46 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -176.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 67.18 28.68 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.326 0.584 . . . . 0.0 110.503 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.714 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.0 m95 -72.57 144.22 47.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 174.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -129.85 126.92 39.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.033 0.444 . . . . 0.0 110.577 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 58.6 m-85 -126.76 140.39 52.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.282 -176.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.09 -10.47 57.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.284 0.564 . . . . 0.0 109.904 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -120.8 135.1 55.24 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 121.979 0.895 . . . . 0.0 111.073 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.718 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 2.6 p -61.08 -41.59 96.93 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 113.456 -1.702 . . . . 0.0 111.075 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -36.24 83.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.716 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -67.99 -40.28 83.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.743 0.306 . . . . 0.0 110.65 179.625 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 8' ' ' PHE . 34.2 tp -64.86 -44.74 88.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.166 176.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -33.87 76.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.918 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -65.6 -29.91 70.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.294 177.484 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 69.0 t60 -86.62 -46.25 10.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.927 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -77.49 2.68 15.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.534 -175.616 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 2.6 ptpt -66.49 -30.13 70.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 110.24 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 16.0 ptp180 -82.38 -2.93 54.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.805 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 19.3 m-70 . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.795 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -55.14 -22.76 33.2 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 123.19 2.593 . . . . 0.0 112.183 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.893 ' HB3' HD22 ' A' ' 23' ' ' LEU . 20.8 m-85 -118.99 127.74 53.74 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.39 138.11 41.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.244 0.545 . . . . 0.0 111.689 -171.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -80.07 129.92 68.3 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.281 174.84 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -88.49 5.13 5.32 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.501 2.134 . . . . 0.0 112.632 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -109.29 -51.39 2.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -176.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.543 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -102.7 -6.34 22.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 178.047 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 69.23 35.13 2.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.435 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.543 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.1 m95 -76.65 153.18 35.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.835 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -131.11 130.37 43.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.714 0.292 . . . . 0.0 110.741 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 84.2 m-85 -127.87 138.06 52.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.77 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -16.3 58.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.274 0.559 . . . . 0.0 110.388 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -120.36 130.48 54.42 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 121.895 0.855 . . . . 0.0 110.633 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.838 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 5.0 p -61.42 -35.87 78.75 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 113.699 -1.591 . . . . 0.0 110.525 178.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -38.81 92.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.053 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -71.71 -36.82 70.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.564 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.893 HD22 ' HB3' ' A' ' 8' ' ' PHE . 17.6 tp -65.41 -42.54 92.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.142 176.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.01 74.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.652 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 25' ' ' LEU . 2.9 tp -68.73 -25.84 64.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.794 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -90.79 -32.65 16.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.49 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.22 19.4 5.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.508 -175.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.67 -46.42 79.2 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.85 5.8 5.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.082 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.165 177.605 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mttm . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.401 0.143 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.81 -24.69 57.17 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.373 2.715 . . . . 0.0 112.723 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.737 ' HB3' HD22 ' A' ' 23' ' ' LEU . 44.0 m-85 -112.12 95.97 5.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.896 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.31 137.69 48.74 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.853 -176.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.9 t -79.51 124.25 83.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 175.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.91 4.07 7.26 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.58 2.187 . . . . 0.0 112.356 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -105.72 -47.56 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.536 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.581 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.5 m -111.95 -4.53 14.51 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t0 69.13 35.98 2.56 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.588 0.709 . . . . 0.0 110.203 -177.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.581 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 10.4 m95 -83.7 151.76 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.634 175.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.63 127.97 38.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.914 0.387 . . . . 0.0 111.394 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 43.4 m-85 -129.11 141.11 51.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.204 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -16.63 47.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.966 0.412 . . . . 0.0 110.437 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -119.7 133.66 55.54 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 122.102 0.953 . . . . 0.0 111.258 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.647 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.1 p -57.19 -42.61 81.53 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.089 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -30.53 71.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.538 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.95 -44.45 61.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.44 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 8' ' ' PHE . 19.8 tp -62.72 -43.49 98.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.164 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.25 -33.97 76.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.765 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -70.46 -25.34 63.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.739 177.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -86.62 -41.29 14.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.471 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 5.4 mtp180 -84.67 4.89 30.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.489 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -67.01 -27.38 67.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.307 0.575 . . . . 0.0 109.936 175.51 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -92.33 19.65 6.88 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.267 176.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.471 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 7.6 m-70 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.811 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -59.27 -14.17 23.2 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.489 2.793 . . . . 0.0 112.683 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.753 ' HB3' HD22 ' A' ' 23' ' ' LEU . 37.5 m-85 -123.13 108.63 13.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.385 177.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.02 139.55 53.83 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.611 -171.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 4.4 t -82.95 122.51 77.95 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.02 -0.24 10.59 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.404 2.069 . . . . 0.0 112.092 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -98.81 -54.36 3.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.663 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.557 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 3.2 m -102.58 -7.12 22.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.472 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t0 71.02 28.71 3.1 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.708 0.63 . . . . 0.0 109.994 -175.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 6.2 m95 -72.81 153.3 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.811 177.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -134.52 128.19 32.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.031 0.444 . . . . 0.0 110.931 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 57.5 m-85 -127.73 140.26 52.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.238 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.31 -13.6 52.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.323 0.583 . . . . 0.0 110.145 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 19' ' ' ARG . 6.0 mtp85 -115.84 131.85 56.82 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-O 121.871 0.843 . . . . 0.0 110.595 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.7 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 8.3 p -60.53 -39.4 87.71 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 113.661 -1.609 . . . . 0.0 110.808 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -32.42 74.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.086 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.28 -39.62 65.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.878 0.37 . . . . 0.0 110.51 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 8' ' ' PHE . 28.2 tp -65.18 -43.79 90.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.106 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.66 78.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 25' ' ' LEU . 4.5 mt -65.24 -24.58 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.542 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 72.7 t60 -93.73 -38.63 11.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.873 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 1.4 mtp-105 -85.24 -8.13 58.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.233 -0.292 . . . . 0.0 111.744 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -32.01 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.372 . . . . 0.0 110.673 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 7.5 ptp180 -74.63 -16.81 60.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.55 0.69 . . . . 0.0 109.583 178.212 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 2.3 mttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -53.53 -28.49 45.54 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.34 2.693 . . . . 0.0 112.209 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.799 ' HB3' HD22 ' A' ' 23' ' ' LEU . 14.8 m-85 -109.59 128.55 55.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.968 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -145.73 141.57 28.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.16 0.505 . . . . 0.0 111.683 -172.405 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -84.08 128.54 62.18 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.932 175.709 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -85.08 2.6 7.83 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.611 2.208 . . . . 0.0 112.551 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -103.46 -50.46 3.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.92 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.488 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 3.2 m -103.24 -10.4 18.78 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.387 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t0 73.49 32.81 1.15 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.86 0.725 . . . . 0.0 109.849 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 5.1 m95 -78.07 148.76 34.11 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.129 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.562 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -126.34 135.44 51.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.784 0.326 . . . . 0.0 110.802 178.389 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 64.0 m-85 -134.17 137.92 44.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.1 -13.6 52.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.25 0.548 . . . . 0.0 110.154 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -121.28 132.4 54.78 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 122.031 0.919 . . . . 0.0 110.707 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.777 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 4.8 p -61.58 -36.2 79.99 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 113.49 -1.686 . . . . 0.0 110.905 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -33.7 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.982 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -39.98 62.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 177.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 8' ' ' PHE . 15.0 tp -65.37 -42.16 93.02 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.198 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.09 -27.25 67.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -20.29 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.237 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -97.28 -46.74 6.0 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.044 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -79.9 -3.14 46.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -173.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -61.07 -35.25 76.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.807 0.336 . . . . 0.0 110.769 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -12.65 59.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.182 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.39 0.614 . . . . 0.0 110.652 -179.14 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.713 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 1.4 mttt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -55.37 -23.83 40.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.119 2.546 . . . . 0.0 112.386 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.779 ' HB3' HD22 ' A' ' 23' ' ' LEU . 23.7 m-85 -116.97 114.92 24.5 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.615 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.88 135.24 49.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.029 0.443 . . . . 0.0 111.385 -173.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.484 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -77.12 128.17 81.66 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.942 175.553 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -87.19 8.57 4.28 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.769 2.312 . . . . 0.0 112.533 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -109.54 -51.7 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.761 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.6 m -107.39 -10.38 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.933 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.92 39.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.025 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.761 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 10.8 m95 -81.17 145.23 31.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.289 175.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.713 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -121.88 132.88 54.8 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.11 -177.153 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.9 m-85 -135.69 139.08 43.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -176.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.26 -11.12 50.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.153 0.501 . . . . 0.0 110.219 178.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -122.18 133.61 54.73 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.906 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.537 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 87.6 p -59.75 -39.09 83.65 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.017 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -36.86 85.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.62 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.04 -40.42 78.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 178.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 8' ' ' PHE . 27.0 tp -65.03 -44.63 88.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.24 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.37 75.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.224 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -21.94 65.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.164 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -94.84 -41.45 9.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.337 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.484 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 4.7 mtp180 -84.24 14.19 4.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.756 -176.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -33.51 73.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.96 21.7 3.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.126 174.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.744 179.37 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 3.9 mptt . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -55.63 -25.34 49.85 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.214 2.609 . . . . 0.0 112.195 -177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.737 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 14.5 m-85 -114.71 120.94 41.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.335 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -132.87 142.28 48.85 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.842 -171.217 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -87.96 122.94 69.79 Favored Pre-proline 0 N--CA 1.446 -0.638 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.567 174.388 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -84.7 11.05 3.49 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.349 2.033 . . . . 0.0 112.239 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -106.35 -52.68 2.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.088 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.752 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.1 m -107.18 -2.34 20.98 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -178.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.446 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 9.0 t0 69.53 31.21 3.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.345 0.593 . . . . 0.0 110.217 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.752 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 9.9 m95 -78.93 151.55 31.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.903 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -133.49 134.69 43.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.85 0.357 . . . . 0.0 110.809 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 73.4 m-85 -134.16 139.81 46.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.331 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -11.6 57.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.118 0.485 . . . . 0.0 110.156 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -115.33 130.3 56.86 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.992 0.901 . . . . 0.0 110.931 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.737 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 7.0 p -60.93 -34.56 74.9 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.416 -1.72 . . . . 0.0 110.557 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -29.25 62.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.797 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -40.42 60.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.565 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 8' ' ' PHE . 29.2 tp -64.15 -44.23 92.76 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.0 79.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.68 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.42 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -67.73 -30.48 69.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 178.813 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -85.43 -29.57 24.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.957 0.408 . . . . 0.0 111.016 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 3.1 mtp180 -92.46 12.41 22.92 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 122.086 -0.384 . . . . 0.0 111.104 -177.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 25' ' ' LEU . 80.7 mttt -64.07 -46.3 84.93 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.189 0.518 . . . . 0.0 110.117 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -68.94 -21.31 64.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.475 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 12.9 m-70 . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 177.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -61.19 -21.04 70.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.303 2.669 . . . . 0.0 112.734 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.739 ' HB3' HD22 ' A' ' 23' ' ' LEU . 45.6 m-85 -114.4 97.6 6.42 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 143.16 45.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.42 -174.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 3.5 t -85.38 126.34 67.23 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.322 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -83.82 -5.07 10.66 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.582 2.188 . . . . 0.0 111.914 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -93.52 -50.52 5.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.422 -177.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.773 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.3 m -106.31 -10.99 16.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.709 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 72.26 33.12 1.58 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.607 0.567 . . . . 0.0 110.584 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.773 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 21.4 m95 -77.75 154.6 31.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.53 175.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.87 130.38 43.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.955 0.407 . . . . 0.0 111.015 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 62.3 m-85 -130.54 139.91 50.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.952 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -9.69 55.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.471 0.653 . . . . 0.0 109.905 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -121.19 134.07 55.2 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 122.209 1.004 . . . . 0.0 111.062 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.69 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 4.2 p -58.42 -44.2 89.01 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 112.907 -1.952 . . . . 0.0 111.024 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.71 -32.97 74.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.28 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -72.8 -41.64 64.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.525 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 8' ' ' PHE . 17.3 tp -62.96 -43.25 99.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.962 176.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.3 79.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.495 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -68.18 -23.0 64.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 177.735 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 67.8 t60 -92.23 -35.72 13.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.169 0.509 . . . . 0.0 110.83 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 4.7 mtp180 -90.37 1.02 57.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.773 -173.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' A' ' 25' ' ' LEU . 20.5 pttp -71.27 -30.46 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.381 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 15.9 ptp180 -70.32 -25.27 63.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.384 0.611 . . . . 0.0 110.18 174.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.538 178.84 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -55.64 -30.01 73.19 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.957 2.438 . . . . 0.0 111.82 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.748 ' CE2' ' HB3' ' A' ' 20' ' ' SER . 13.3 m-85 -114.26 113.22 24.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.235 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.28 135.86 37.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.632 -173.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.91 126.28 80.26 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.63 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -83.79 -5.11 10.68 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.665 2.244 . . . . 0.0 111.512 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -91.83 -48.44 6.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.277 -177.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.681 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.2 m -113.17 -4.27 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 66.05 34.33 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.223 0.535 . . . . 0.0 110.484 -175.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.681 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 13.3 m95 -79.98 135.76 36.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.486 175.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.2 128.45 54.23 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.965 0.412 . . . . 0.0 111.514 -174.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 38.7 m-85 -131.32 138.03 49.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.606 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -7.65 58.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.146 0.498 . . . . 0.0 110.194 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -122.5 136.2 54.83 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-O 122.01 0.91 . . . . 0.0 110.595 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.748 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 2.5 p -61.2 -41.25 96.5 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 113.365 -1.743 . . . . 0.0 110.844 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -29.13 69.9 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.081 177.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 1.4 m80 -71.54 -41.94 68.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.057 0.456 . . . . 0.0 110.503 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 8' ' ' PHE . 33.0 tp -67.04 -45.09 78.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.179 178.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.75 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.847 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -70.89 -18.78 62.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.515 177.079 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -99.56 -44.53 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 0.0 110.482 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -78.81 2.51 19.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.401 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -61.65 -39.34 90.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.784 176.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.79 -12.05 60.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.411 0.625 . . . . 0.0 109.891 176.701 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.711 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.584 0.23 . . . . 0.0 110.675 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -57.93 -27.95 80.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.207 2.605 . . . . 0.0 112.308 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.752 ' HB3' HD22 ' A' ' 23' ' ' LEU . 21.4 m-85 -110.39 104.22 12.96 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.193 176.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.16 135.67 54.44 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.189 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -79.63 131.88 63.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.066 176.668 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -91.36 1.76 4.55 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.957 2.438 . . . . 0.0 112.373 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.44 -42.74 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.275 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.717 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.7 m -117.78 -4.14 11.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.37 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 t0 68.0 36.31 3.4 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.294 0.569 . . . . 0.0 110.165 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.717 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.9 m95 -80.51 149.41 30.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.011 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.711 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -128.48 130.94 48.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.862 0.363 . . . . 0.0 111.282 -176.828 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 48.5 m-85 -135.38 135.89 41.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.483 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.08 -13.65 55.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.163 0.506 . . . . 0.0 110.31 178.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -118.26 134.65 54.84 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.908 0.861 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.664 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.5 p -62.75 -39.47 94.24 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 113.791 -1.55 . . . . 0.0 111.226 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -64.81 -34.66 78.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.784 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -67.56 -42.6 82.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.64 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 8' ' ' PHE . 28.3 tp -64.18 -43.0 96.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.19 177.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.76 76.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.967 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.6 mp -70.13 -18.48 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.539 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -96.09 -43.28 7.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.476 0.655 . . . . 0.0 109.931 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HE ' ' HB3' ' A' ' 27' ' ' ARG . 2.1 mtp180 -82.08 9.89 7.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.579 -175.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.78 -30.36 71.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.222 0.534 . . . . 0.0 109.999 175.517 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 16.81 18.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.606 178.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.116 178.786 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.896 -0.481 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.43 169.89 11.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.695 0.283 . . . . 0.0 110.588 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.533 ' HB ' HG12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.58 161.4 25.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.373 178.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.61 54.08 4.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.175 -0.535 . . . . 0.0 112.118 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.533 HG12 ' HB ' ' A' ' 3' ' ' THR . 22.2 mm -80.57 143.94 11.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.897 0.38 . . . . 0.0 110.686 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' HD3' ' HD2' ' A' ' 7' ' ' PRO . 7.8 mmtp -124.44 158.43 61.57 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.954 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.475 ' HD2' ' HD3' ' A' ' 6' ' ' LYS . 11.4 Cg_endo -59.57 -21.71 63.47 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.068 2.512 . . . . 0.0 112.374 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.698 ' HB3' HD22 ' A' ' 23' ' ' LEU . 19.0 m-85 -122.38 109.43 14.39 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.53 142.05 51.63 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.981 0.419 . . . . 0.0 111.837 -172.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -82.22 127.88 69.75 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.177 173.224 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -86.13 4.73 6.33 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.615 2.21 . . . . 0.0 112.199 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -104.46 -55.94 2.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.386 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.8 m -97.84 -12.23 22.39 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 t0 72.33 35.51 1.19 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.719 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.581 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 3.1 m95 -75.49 151.83 37.95 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.693 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.88 129.85 44.45 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.973 0.416 . . . . 0.0 110.869 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.9 m-85 -129.81 137.94 50.76 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.383 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -13.61 55.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.799 178.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.453 ' HB3' ' OD1' ' A' ' 21' ' ' ASP . 2.6 mtm-85 -121.12 138.25 54.29 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.263 1.03 . . . . 0.0 111.77 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.671 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 6.3 p -63.24 -43.3 98.44 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.764 -177.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' OD1' ' HB3' ' A' ' 19' ' ' ARG . 13.9 p-10 -66.83 -30.84 71.12 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.022 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -69.88 -40.7 75.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.314 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.698 HD22 ' HB3' ' A' ' 8' ' ' PHE . 21.5 tp -65.59 -43.74 88.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.271 177.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.86 -36.67 84.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.804 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.47 66.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.711 177.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 74.2 t60 -96.53 -45.57 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.014 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.66 -9.73 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -173.41 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -30.35 71.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.666 0.27 . . . . 0.0 110.622 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 2.8 ptp180 -74.19 -11.4 60.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.976 0.417 . . . . 0.0 110.614 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -97.59 -29.11 13.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.497 0.665 . . . . 0.0 109.974 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.2 mtt -88.21 -48.84 7.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.263 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt 58.17 42.69 21.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.474 0.654 . . . . 0.0 110.456 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.063 -179.064 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.88 156.56 17.74 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.06 132.11 40.31 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 177.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.23 -48.69 2.36 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.897 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.8 mm -88.92 137.5 21.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.065 0.46 . . . . 0.0 110.328 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -123.08 159.77 52.65 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.517 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -59.38 -16.77 36.76 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.299 2.666 . . . . 0.0 112.633 -174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.732 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 31.1 m-85 -122.19 101.75 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.824 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.76 137.05 50.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.414 -173.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -77.4 130.46 74.37 Favored Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.736 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -88.06 6.5 4.92 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.816 2.344 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -107.7 -55.33 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.0 111.503 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.579 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.8 m -102.11 -6.19 23.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.086 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t0 68.4 34.04 3.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.169 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 6.7 m95 -74.57 160.34 31.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.865 176.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.55 129.73 29.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 74.3 m-85 -130.09 140.87 50.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.368 -178.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -12.18 52.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.361 0.601 . . . . 0.0 109.719 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -117.67 130.81 56.58 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 122.187 0.994 . . . . 0.0 110.72 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.732 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.6 p -60.59 -36.26 78.12 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 113.316 -1.765 . . . . 0.0 110.773 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -36.03 81.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.779 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -69.92 -40.61 75.46 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.66 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.654 HD22 ' HB3' ' A' ' 8' ' ' PHE . 35.6 tp -63.41 -45.12 92.48 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.27 87.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.973 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.34 -30.53 70.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.998 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -83.45 -28.17 28.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.279 0.562 . . . . 0.0 110.188 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -94.2 12.86 25.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.591 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -67.13 -40.14 86.73 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -0.67 24.33 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.87 176.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -109.03 33.51 4.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.89 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ptp -104.73 -3.1 24.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.688 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.83 48.96 0.83 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.309 0.576 . . . . 0.0 109.814 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.689 -179.167 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.79 90.65 6.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.927 0.394 . . . . 0.0 110.251 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.44 140.29 46.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.353 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.67 -52.33 4.77 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.32 -0.943 . . . . 0.0 111.336 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -87.49 126.58 41.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.874 0.369 . . . . 0.0 110.461 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.862 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 0.1 OUTLIER -101.7 160.38 26.68 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 175.778 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -57.75 -25.62 69.38 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.854 2.369 . . . . 0.0 111.847 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.825 ' HB3' HD22 ' A' ' 23' ' ' LEU . 6.4 m-85 -119.39 114.54 22.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.507 175.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.81 136.55 51.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.041 0.448 . . . . 0.0 111.434 -174.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.88 130.71 84.81 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.416 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -86.03 5.46 5.99 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.551 2.167 . . . . 0.0 112.424 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -109.9 -50.16 3.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.847 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.559 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -106.98 -8.98 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.309 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 69.17 30.16 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.223 -173.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.559 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.9 m95 -70.19 134.62 48.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.269 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.862 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -117.18 129.96 56.29 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.296 -174.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 75.1 m-85 -129.31 141.73 51.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.701 -176.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -8.93 55.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.377 0.608 . . . . 0.0 109.85 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -124.08 130.0 51.83 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.868 0.842 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.81 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 3.4 p -63.35 -38.62 91.85 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.189 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -30.79 71.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.613 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -73.89 -38.73 64.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.459 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 8' ' ' PHE . 19.0 tp -64.82 -41.85 95.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.856 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.44 79.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.739 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.62 -16.79 64.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.058 177.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -99.74 -47.25 5.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.22 0.533 . . . . 0.0 110.387 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -76.12 -3.63 37.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.901 -175.102 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -65.73 -32.56 74.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.213 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.15 -19.4 63.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.61 175.316 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -90.36 -13.42 35.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.765 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.7 mtm -89.07 -30.88 18.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.942 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 59.09 54.59 4.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.655 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.402 -0.808 . . . . 0.0 110.017 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.56 50.54 0.95 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.331 0.586 . . . . 0.0 110.241 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 121.72 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.761 -178.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.13 -49.47 1.33 Allowed Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.71 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.8 mm -89.0 126.7 42.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.831 0.348 . . . . 0.0 110.482 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.703 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -112.69 160.7 29.62 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.086 178.712 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -59.81 -22.26 67.35 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.328 2.685 . . . . 0.0 111.977 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.755 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 25.0 m-85 -117.17 120.54 38.61 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.393 -0.822 . . . . 0.0 108.979 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 140.71 47.73 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.545 -170.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.8 t -81.92 130.02 62.3 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -88.37 4.86 5.47 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.505 2.136 . . . . 0.0 112.133 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -108.54 -50.62 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.603 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.795 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.4 m -102.99 -5.97 22.86 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 67.28 31.83 6.32 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.646 0.591 . . . . 0.0 110.276 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.795 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.1 m95 -74.22 154.72 38.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.456 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.703 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -132.45 132.45 42.76 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.968 0.413 . . . . 0.0 111.133 -177.593 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' HB3' ' A' ' 6' ' ' LYS . 77.2 m-85 -133.69 142.37 47.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.279 -177.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.15 -5.25 57.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.246 0.546 . . . . 0.0 110.083 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -125.33 129.46 50.0 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.934 0.873 . . . . 0.0 110.545 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.755 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 14.0 p -59.91 -39.15 84.43 Favored 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 113.716 -1.584 . . . . 0.0 110.859 178.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -32.82 74.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.227 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.25 -38.04 56.81 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.93 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.646 HD22 ' HB3' ' A' ' 8' ' ' PHE . 35.5 tp -63.3 -44.26 95.51 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.58 83.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.608 HD23 ' HE3' ' A' ' 28' ' ' LYS . 8.7 mt -62.24 -38.45 89.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -73.34 -38.36 65.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.312 0.577 . . . . 0.0 110.143 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -86.39 8.07 23.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.919 -174.716 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.608 ' HE3' HD23 ' A' ' 25' ' ' LEU . 26.4 mttt -62.79 -41.65 99.36 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 110.166 175.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -18.79 61.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.551 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -83.07 -45.5 13.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.406 0.622 . . . . 0.0 110.441 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 mtp -80.93 -5.57 57.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.159 -177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.64 53.74 2.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.026 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.778 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -81.87 95.52 7.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.978 0.418 . . . . 0.0 110.886 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.6 136.09 36.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.034 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.21 -45.33 3.07 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.4 mm -91.96 130.94 40.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 9.3 mttt -117.98 160.07 40.34 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.27 -17.55 26.67 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.246 2.63 . . . . 0.0 112.249 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.807 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 25.6 m-85 -124.78 110.94 14.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.296 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.02 135.26 48.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -172.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.29 128.15 78.98 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.995 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -84.19 2.1 8.37 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.581 2.187 . . . . 0.0 112.55 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -103.53 -43.61 5.34 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.553 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.581 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.8 m -113.82 -9.22 13.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t70 69.86 33.27 2.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.325 0.583 . . . . 0.0 109.896 -174.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.581 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 13.0 m95 -79.62 138.72 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.694 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.42 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -118.7 131.66 56.15 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.064 0.459 . . . . 0.0 111.054 -176.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 58.6 m-85 -131.84 138.73 48.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.427 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -82.55 -11.95 58.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.11 0.481 . . . . 0.0 110.382 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -119.97 133.33 55.59 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-O 122.103 0.954 . . . . 0.0 110.548 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.807 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 3.0 p -62.59 -36.5 82.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.795 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -37.43 87.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.679 176.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.49 -40.74 80.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.742 0.306 . . . . 0.0 110.53 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 8' ' ' PHE . 29.5 tp -64.45 -44.51 90.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.137 176.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -33.91 77.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.54 -23.29 65.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -92.64 -44.65 8.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.39 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -77.13 -6.93 54.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -174.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -62.84 -33.27 74.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.976 0.417 . . . . 0.0 110.609 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -4.88 51.15 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 13.7 m-70 -92.5 -13.88 29.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.567 0.699 . . . . 0.0 109.204 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.566 ' HB2' HG22 ' A' ' 33' ' ' VAL . 3.3 mtt -102.29 -36.6 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.782 174.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.0 48.32 5.26 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.443 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG22 ' HB2' ' A' ' 31' ' ' MET . 5.0 m . . . . . 0 C--O 1.245 0.851 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.875 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.82 151.46 19.58 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 120.86 24.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.018 0.437 . . . . 0.0 111.202 -175.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.92 -39.03 0.92 Allowed Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.7 mm -68.86 130.74 34.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.272 -0.464 . . . . 0.0 110.376 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.774 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 8.5 mptt -109.21 161.4 23.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.88 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -58.77 -26.9 81.95 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 123.027 2.485 . . . . 0.0 111.889 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.741 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 14.0 m-85 -116.14 103.21 10.31 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.994 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -128.61 127.57 42.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.763 -169.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -73.52 129.38 85.66 Favored Pre-proline 0 N--CA 1.441 -0.92 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.591 175.691 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -88.7 1.43 6.27 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.604 2.203 . . . . 0.0 112.387 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.41 -56.84 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.696 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -100.15 -5.95 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.677 179.097 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t70 66.58 39.82 3.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.503 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.696 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 31.5 m95 -86.15 116.38 24.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.058 175.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.774 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -101.23 132.32 46.8 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.033 -176.376 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.0 m-85 -130.24 140.91 50.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.372 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -86.43 -7.56 58.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.225 0.536 . . . . 0.0 110.201 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -120.71 132.05 54.87 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 121.873 0.844 . . . . 0.0 110.753 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.741 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 5.1 p -59.66 -44.22 93.64 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.764 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -32.59 73.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.068 178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.57 -40.76 63.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.154 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 8' ' ' PHE . 14.3 tp -68.79 -40.13 79.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.265 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.41 74.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.096 0.474 . . . . 0.0 110.244 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 2.8 mt -66.4 -28.15 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.336 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -89.4 -46.37 8.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.842 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -80.48 14.27 2.11 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -66.78 -30.28 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.116 0.484 . . . . 0.0 109.724 174.297 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.1 13.67 22.36 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.426 176.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.51 24.9 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.879 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.64 -11.54 21.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.073 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.72 63.26 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.348 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.055 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 111.894 -0.482 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.35 132.26 38.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.679 0.276 . . . . 0.0 110.395 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.97 143.18 36.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.886 0.374 . . . . 0.0 111.542 -175.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.47 78.55 0.27 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.434 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 1.1 mp -62.04 137.88 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 0.0 111.569 -175.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 10.7 mmtt -124.13 160.33 52.74 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.044 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.16 -18.85 24.94 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.13 2.553 . . . . 0.0 112.273 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.72 ' HB3' HD22 ' A' ' 23' ' ' LEU . 17.8 m-85 -128.85 119.6 24.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' OE1' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -134.99 136.39 42.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.802 0.334 . . . . 0.0 111.591 -173.501 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -77.86 131.62 69.9 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.306 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -87.89 -1.57 7.24 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.424 2.083 . . . . 0.0 112.53 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -99.3 -54.56 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.517 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.485 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.8 m -98.74 -12.77 20.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.625 0.25 . . . . 0.0 110.802 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.468 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 5.3 t70 71.32 32.83 2.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.021 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.591 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 7.1 m95 -73.36 137.49 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.865 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.99 133.45 56.02 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.997 0.427 . . . . 0.0 111.082 -176.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 59.8 m-85 -134.32 137.45 44.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.299 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -9.0 58.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.29 0.567 . . . . 0.0 109.914 177.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 133.9 54.74 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 122.137 0.97 . . . . 0.0 111.304 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.71 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 4.0 p -60.21 -43.5 95.93 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 113.266 -1.788 . . . . 0.0 111.362 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -37.1 80.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.0 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -67.16 -42.91 83.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.333 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 8' ' ' PHE . 40.3 tp -63.9 -45.57 88.72 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.233 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -35.56 80.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.26 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -69.77 -25.3 63.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.089 0.471 . . . . 0.0 110.401 179.203 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -87.59 -44.55 11.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.439 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -77.25 6.46 6.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.03 -176.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 2.3 ptmt -66.19 -31.59 72.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.968 0.413 . . . . 0.0 110.187 175.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -91.4 17.44 8.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 178.035 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -119.11 11.72 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.398 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.6 mtt -86.78 -27.15 23.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.326 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.0 mt 60.3 43.77 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.133 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.248 0.989 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.589 176.835 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.67 133.05 45.77 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.96 110.97 23.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.804 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.18 -51.39 5.35 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.711 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.7 mm -103.62 110.77 30.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.982 0.42 . . . . 0.0 109.886 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.615 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -100.99 161.59 23.25 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.82 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -59.6 -13.21 20.38 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 123.197 2.598 . . . . 0.0 112.546 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.775 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 23.6 m-85 -128.8 113.86 15.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.186 176.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -127.91 140.06 52.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.893 0.377 . . . . 0.0 111.326 -173.283 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -84.1 127.33 67.18 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.531 174.066 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -89.4 6.57 4.4 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.832 2.355 . . . . 0.0 112.457 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -106.75 -45.18 4.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.772 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.655 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -110.43 -7.62 14.76 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.408 -0.117 . . . . 0.0 111.189 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.22 38.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.042 -175.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.655 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 9.2 m95 -83.9 153.36 24.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.636 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.615 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -133.65 132.88 41.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.914 0.388 . . . . 0.0 110.999 -178.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 61.4 m-85 -134.6 138.98 45.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.461 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.25 -7.44 59.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.213 0.53 . . . . 0.0 110.334 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -123.0 130.38 52.73 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.982 0.896 . . . . 0.0 110.458 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 8.0 p -62.07 -35.16 77.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 113.773 -1.558 . . . . 0.0 110.822 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -32.33 73.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.066 176.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.13 -39.54 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.243 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD22 ' HB3' ' A' ' 8' ' ' PHE . 41.3 tp -65.74 -45.87 81.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.094 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.22 -40.4 74.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.297 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -74.72 -37.57 62.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.439 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HE ' ' HB2' ' A' ' 30' ' ' HIS . 1.6 mtp180 -85.46 11.13 11.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.72 -175.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -28.8 67.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 109.963 176.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.55 18.47 9.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.288 175.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.493 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 9.0 m-70 -123.14 33.08 5.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.33 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.52 -44.3 17.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.038 -178.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 32' ' ' LEU . 4.8 mt -97.71 46.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.305 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.273 0 CA-C-O 118.23 -0.89 . . . . 0.0 109.932 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.125 -0.39 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -69.29 110.77 4.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.636 0.255 . . . . 0.0 110.485 -179.331 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -12.13 52.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.805 -173.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.05 -79.87 1.46 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.564 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' HB2' ' A' ' 2' ' ' SER . 29.4 mm -85.65 108.15 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.767 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 1.1 mptt -84.41 159.62 58.46 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.803 -175.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -60.69 -23.72 76.8 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.013 2.475 . . . . 0.0 112.093 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.707 ' HB3' HD22 ' A' ' 23' ' ' LEU . 22.4 m-85 -112.07 106.69 15.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.119 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.582 ' NE2' ' HA ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -123.8 139.51 53.9 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.233 -170.656 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 2.1 t -84.03 125.95 71.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.622 176.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -82.2 -0.39 10.22 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.538 2.159 . . . . 0.0 112.407 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -101.06 -55.85 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.711 0.291 . . . . 0.0 111.743 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.572 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.5 m -98.74 -9.21 24.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.084 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.582 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER 70.42 29.61 3.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.21 -174.62 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.572 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.5 m95 -71.65 151.62 43.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.12 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.767 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -128.98 131.0 47.39 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.772 0.32 . . . . 0.0 111.117 -178.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 67.8 m-85 -132.51 134.78 45.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.354 -178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -9.5 58.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.126 0.488 . . . . 0.0 109.888 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -115.68 131.66 56.87 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 121.66 0.743 . . . . 0.0 110.392 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.626 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 20.4 p -60.42 -42.93 97.04 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.007 -1.452 . . . . 0.0 110.524 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -32.65 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.053 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -71.2 -39.78 71.57 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.762 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' A' ' 8' ' ' PHE . 16.4 tp -65.94 -43.32 88.34 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -35.35 78.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.604 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.503 HD23 ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -65.87 -25.98 67.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.132 0.492 . . . . 0.0 110.59 176.561 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 73.0 t60 -90.2 -38.49 13.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.913 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 3.1 mtp180 -88.53 -3.86 58.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.294 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HE2' HD23 ' A' ' 25' ' ' LEU . 32.8 pttt -69.08 -32.96 72.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.771 0.319 . . . . 0.0 110.536 177.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -77.18 -18.13 58.03 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.14 0.495 . . . . 0.0 109.791 175.7 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 7.2 m-70 -77.3 -12.36 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.235 176.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.66 3.19 29.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.222 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mt 60.16 48.73 8.01 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.208 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.029 177.692 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -25.92 65.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.218 0.532 . . . . 0.0 111.382 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.81 9.06 40.53 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.127 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.14 54.31 0.77 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.032 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.4 mm -80.02 135.15 26.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.505 ' H ' ' HB3' ' A' ' 16' ' ' SER . 0.6 OUTLIER -105.22 159.98 27.58 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.803 -177.366 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -59.58 -18.97 50.22 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.234 2.622 . . . . 0.0 112.841 -175.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.775 ' HB3' HD22 ' A' ' 23' ' ' LEU . 28.6 m-85 -119.66 100.09 7.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.735 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.35 141.52 45.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.707 -173.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.477 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -82.79 131.03 55.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.668 173.304 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -87.39 3.6 6.36 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.766 2.311 . . . . 0.0 112.421 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -105.7 -54.83 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 111.86 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.592 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -100.65 -6.89 24.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 68.3 31.71 5.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.793 -174.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.592 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 7.9 m95 -72.8 153.63 41.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.25 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.505 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 7.1 m -134.4 129.4 35.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.755 0.312 . . . . 0.0 110.466 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 75.0 m-85 -127.1 139.44 52.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.214 -177.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -15.7 51.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.201 0.524 . . . . 0.0 110.083 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.99 132.48 56.69 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 121.809 0.814 . . . . 0.0 110.729 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 79.7 p -61.69 -37.65 84.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.609 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -39.81 91.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.79 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.78 -41.14 79.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.637 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.775 HD22 ' HB3' ' A' ' 8' ' ' PHE . 20.3 tp -66.08 -41.46 90.65 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.285 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.95 86.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.428 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.55 -29.62 70.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.144 0.497 . . . . 0.0 110.414 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.458 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 81.3 t60 -87.45 -38.3 16.22 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.362 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 27' ' ' ARG . 1.2 mtp180 -89.26 -5.57 57.5 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.149 -0.344 . . . . 0.0 111.816 -173.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -73.3 -27.73 61.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 110.193 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -85.61 6.64 26.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.23 174.656 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 4.4 m-70 -101.97 3.28 38.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.4 mtt -81.46 -8.7 59.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.776 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.96 43.85 5.03 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.274 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.246 0.877 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.475 179.187 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.24 148.37 48.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.732 0.301 . . . . 0.0 110.745 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.425 ' HB ' HG12 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -83.71 170.16 14.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.79 52.55 4.44 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.52 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.425 HG12 ' HB ' ' A' ' 3' ' ' THR . 51.2 mm -70.46 121.99 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.17 0.509 . . . . 0.0 111.242 -176.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' H ' ' HB3' ' A' ' 16' ' ' SER . 28.4 mttt -101.95 159.97 27.84 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.124 175.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -55.51 -23.83 41.29 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 123.18 2.587 . . . . 0.0 112.335 -175.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.718 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 26.7 m-85 -118.11 100.96 7.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.747 178.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.86 143.39 48.93 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.029 -174.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.7 t -81.39 127.41 73.61 Favored Pre-proline 0 N--CA 1.447 -0.604 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.392 176.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.11 7.55 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.729 2.286 . . . . 0.0 112.18 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.16 -53.82 2.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.475 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.714 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.2 m -106.1 -2.6 22.46 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -176.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 67.18 28.68 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.326 0.584 . . . . 0.0 110.503 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.714 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.0 m95 -72.57 144.22 47.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 174.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.479 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 1.4 m -129.85 126.92 39.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.033 0.444 . . . . 0.0 110.577 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 58.6 m-85 -126.76 140.39 52.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.282 -176.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.09 -10.47 57.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.284 0.564 . . . . 0.0 109.904 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -120.8 135.1 55.24 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 121.979 0.895 . . . . 0.0 111.073 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.718 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 2.6 p -61.08 -41.59 96.93 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 113.456 -1.702 . . . . 0.0 111.075 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -36.24 83.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.716 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -67.99 -40.28 83.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.743 0.306 . . . . 0.0 110.65 179.625 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 8' ' ' PHE . 34.2 tp -64.86 -44.74 88.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.166 176.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -33.87 76.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.918 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -65.6 -29.91 70.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.294 177.484 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 69.0 t60 -86.62 -46.25 10.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.927 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -77.49 2.68 15.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.534 -175.616 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 2.6 ptpt -66.49 -30.13 70.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 110.24 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 16.0 ptp180 -82.38 -2.93 54.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.805 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 19.3 m-70 -101.95 30.47 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.795 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.437 ' CE ' ' HA ' ' A' ' 28' ' ' LYS . 17.7 mtt -108.61 1.27 21.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.771 -175.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 59.16 33.85 22.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.864 -179.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.747 178.06 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.66 69.08 10.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.855 0.359 . . . . 0.0 110.374 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.732 ' HB ' HG12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -78.8 136.91 37.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.026 -176.435 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.01 50.73 3.96 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.088 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.732 HG12 ' HB ' ' A' ' 3' ' ' THR . 22.2 mm -83.44 137.79 20.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.225 0.536 . . . . 0.0 110.728 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.787 ' H ' ' HB3' ' A' ' 16' ' ' SER . 0.1 OUTLIER -96.68 165.31 16.26 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.084 178.83 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -55.14 -22.76 33.2 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 123.19 2.593 . . . . 0.0 112.183 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.893 ' HB3' HD22 ' A' ' 23' ' ' LEU . 20.8 m-85 -118.99 127.74 53.74 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.39 138.11 41.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.244 0.545 . . . . 0.0 111.689 -171.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -80.07 129.92 68.3 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.281 174.84 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -88.49 5.13 5.32 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.501 2.134 . . . . 0.0 112.632 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -109.29 -51.39 2.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -176.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.543 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -102.7 -6.34 22.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 178.047 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 69.23 35.13 2.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.435 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.543 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.1 m95 -76.65 153.18 35.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.835 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.787 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 1.4 m -131.11 130.37 43.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.714 0.292 . . . . 0.0 110.741 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 84.2 m-85 -127.87 138.06 52.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.77 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -16.3 58.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.274 0.559 . . . . 0.0 110.388 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -120.36 130.48 54.42 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 121.895 0.855 . . . . 0.0 110.633 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.838 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 5.0 p -61.42 -35.87 78.75 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 113.699 -1.591 . . . . 0.0 110.525 178.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -38.81 92.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.053 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -71.71 -36.82 70.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.564 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.893 HD22 ' HB3' ' A' ' 8' ' ' PHE . 17.6 tp -65.41 -42.54 92.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.142 176.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.01 74.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.652 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 25' ' ' LEU . 2.9 tp -68.73 -25.84 64.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.794 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -90.79 -32.65 16.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.49 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' A' ' 31' ' ' MET . 0.1 OUTLIER -90.22 19.4 5.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.508 -175.326 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.67 -46.42 79.2 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.85 5.8 5.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.082 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -113.69 -2.84 13.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.165 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.438 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 27.1 mtm -105.45 12.18 31.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.337 0.589 . . . . 0.0 110.634 -175.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.03 50.55 1.29 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.266 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.899 -178.584 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -32.6 72.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.051 0.453 . . . . 0.0 111.421 -177.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.26 7.35 38.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.729 177.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.04 -46.94 5.46 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.189 175.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.2 mm -78.73 131.62 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 173.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' H ' ' HB3' ' A' ' 16' ' ' SER . 1.4 mttm -120.33 159.24 48.53 Favored Pre-proline 0 C--N 1.323 -0.581 0 C-N-CA 121.194 -0.202 . . . . 0.0 110.723 -175.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.81 -24.69 57.17 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.373 2.715 . . . . 0.0 112.723 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.737 ' HB3' HD22 ' A' ' 23' ' ' LEU . 44.0 m-85 -112.12 95.97 5.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.896 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.31 137.69 48.74 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.853 -176.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.9 t -79.51 124.25 83.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 175.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.91 4.07 7.26 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.58 2.187 . . . . 0.0 112.356 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -105.72 -47.56 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.536 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.581 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.5 m -111.95 -4.53 14.51 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t0 69.13 35.98 2.56 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.588 0.709 . . . . 0.0 110.203 -177.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.581 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 10.4 m95 -83.7 151.76 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.634 175.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -131.63 127.97 38.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.914 0.387 . . . . 0.0 111.394 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 43.4 m-85 -129.11 141.11 51.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.204 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -16.63 47.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.966 0.412 . . . . 0.0 110.437 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -119.7 133.66 55.54 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 122.102 0.953 . . . . 0.0 111.258 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.647 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.1 p -57.19 -42.61 81.53 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.089 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -30.53 71.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.538 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.95 -44.45 61.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.44 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 8' ' ' PHE . 19.8 tp -62.72 -43.49 98.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.164 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.25 -33.97 76.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.765 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -70.46 -25.34 63.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.739 177.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -86.62 -41.29 14.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 5.4 mtp180 -84.67 4.89 30.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.489 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -67.01 -27.38 67.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.307 0.575 . . . . 0.0 109.936 175.51 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -92.33 19.65 6.88 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.267 176.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.471 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 7.6 m-70 -121.05 33.69 5.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.811 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mmt -86.28 -31.68 21.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.487 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -86.59 86.21 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.149 179.337 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.853 -0.594 . . . . 0.0 110.103 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 58.42 35.83 25.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.285 0.564 . . . . 0.0 111.211 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.96 -4.03 14.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.257 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.97 -47.87 4.59 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.855 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.3 mm -72.3 141.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 174.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -130.74 162.72 53.37 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.994 179.658 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -59.27 -14.17 23.2 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.489 2.793 . . . . 0.0 112.683 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.753 ' HB3' HD22 ' A' ' 23' ' ' LEU . 37.5 m-85 -123.13 108.63 13.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.385 177.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.02 139.55 53.83 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.611 -171.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 4.4 t -82.95 122.51 77.95 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.02 -0.24 10.59 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.404 2.069 . . . . 0.0 112.092 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -98.81 -54.36 3.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.663 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.557 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 3.2 m -102.58 -7.12 22.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.472 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t0 71.02 28.71 3.1 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.708 0.63 . . . . 0.0 109.994 -175.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 6.2 m95 -72.81 153.3 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.811 177.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -134.52 128.19 32.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.031 0.444 . . . . 0.0 110.931 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 57.5 m-85 -127.73 140.26 52.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.238 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.31 -13.6 52.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.323 0.583 . . . . 0.0 110.145 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 19' ' ' ARG . 6.0 mtp85 -115.84 131.85 56.82 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-O 121.871 0.843 . . . . 0.0 110.595 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.7 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 8.3 p -60.53 -39.4 87.71 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 113.661 -1.609 . . . . 0.0 110.808 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -32.42 74.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.086 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -73.28 -39.62 65.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.878 0.37 . . . . 0.0 110.51 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 8' ' ' PHE . 28.2 tp -65.18 -43.79 90.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.106 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.66 78.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 25' ' ' LEU . 4.5 mt -65.24 -24.58 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.542 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 72.7 t60 -93.73 -38.63 11.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.873 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 1.4 mtp-105 -85.24 -8.13 58.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.233 -0.292 . . . . 0.0 111.744 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -32.01 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.372 . . . . 0.0 110.673 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 7.5 ptp180 -74.63 -16.81 60.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -87.85 -28.78 21.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.55 0.69 . . . . 0.0 109.583 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.8 mtt -77.57 -47.83 18.45 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.053 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 32' ' ' LEU . 14.6 tp -113.07 86.3 2.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.014 177.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.193 -0.908 . . . . 0.0 109.855 179.277 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.594 -0.602 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -101.88 118.7 37.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 175.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.18 8.64 44.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.205 0.526 . . . . 0.0 110.703 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.32 58.99 5.02 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.5 mm -60.79 135.53 25.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.937 -0.632 . . . . 0.0 111.111 -173.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.645 ' H ' ' HB3' ' A' ' 16' ' ' SER . 2.3 mttt -111.85 164.5 14.98 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.531 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -53.53 -28.49 45.54 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.34 2.693 . . . . 0.0 112.209 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.799 ' HB3' HD22 ' A' ' 23' ' ' LEU . 14.8 m-85 -109.59 128.55 55.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.968 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -145.73 141.57 28.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.16 0.505 . . . . 0.0 111.683 -172.405 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -84.08 128.54 62.18 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.932 175.709 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -85.08 2.6 7.83 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.611 2.208 . . . . 0.0 112.551 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -103.46 -50.46 3.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.92 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.488 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 3.2 m -103.24 -10.4 18.78 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.387 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t0 73.49 32.81 1.15 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.86 0.725 . . . . 0.0 109.849 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 5.1 m95 -78.07 148.76 34.11 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.129 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.645 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -126.34 135.44 51.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.784 0.326 . . . . 0.0 110.802 178.389 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 64.0 m-85 -134.17 137.92 44.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.1 -13.6 52.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.25 0.548 . . . . 0.0 110.154 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -121.28 132.4 54.78 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 122.031 0.919 . . . . 0.0 110.707 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.777 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 4.8 p -61.58 -36.2 79.99 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 113.49 -1.686 . . . . 0.0 110.905 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -33.7 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.982 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.33 -39.98 62.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 177.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 8' ' ' PHE . 15.0 tp -65.37 -42.16 93.02 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.198 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.09 -27.25 67.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -20.29 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.237 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -97.28 -46.74 6.0 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.044 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -79.9 -3.14 46.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -173.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -61.07 -35.25 76.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.807 0.336 . . . . 0.0 110.769 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -12.65 59.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.182 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -84.29 -35.57 23.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.39 0.614 . . . . 0.0 110.652 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.71 -1.95 52.05 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.618 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.3 mt 62.96 54.21 2.23 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.226 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.4 t . . . . . 0 C--O 1.248 1.018 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.296 -178.827 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.59 130.38 34.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.902 0.382 . . . . 0.0 110.367 177.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -79.33 142.42 36.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.063 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' HE3' ' A' ' 6' ' ' LYS . . . -158.12 76.06 0.2 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.1 mm -67.43 117.34 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.216 0.531 . . . . 0.0 111.105 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.713 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 1.4 mttt -101.25 162.06 21.69 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.904 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -55.37 -23.83 40.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.119 2.546 . . . . 0.0 112.386 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.779 ' HB3' HD22 ' A' ' 23' ' ' LEU . 23.7 m-85 -116.97 114.92 24.5 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.615 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.88 135.24 49.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.029 0.443 . . . . 0.0 111.385 -173.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.484 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -77.12 128.17 81.66 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.942 175.553 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -87.19 8.57 4.28 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.769 2.312 . . . . 0.0 112.533 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -109.54 -51.7 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.761 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.6 m -107.39 -10.38 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.933 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.92 39.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.025 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.761 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 10.8 m95 -81.17 145.23 31.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.289 175.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.713 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -121.88 132.88 54.8 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.11 -177.153 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.9 m-85 -135.69 139.08 43.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -176.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.26 -11.12 50.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.153 0.501 . . . . 0.0 110.219 178.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -122.18 133.61 54.73 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.906 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.537 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 87.6 p -59.75 -39.09 83.65 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.017 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -36.86 85.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.62 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.04 -40.42 78.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 178.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 8' ' ' PHE . 27.0 tp -65.03 -44.63 88.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.24 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.37 75.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.224 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -21.94 65.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.164 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -94.84 -41.45 9.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.337 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 4.7 mtp180 -84.24 14.19 4.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.756 -176.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -33.51 73.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.96 21.7 3.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.126 174.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -126.07 23.94 7.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.744 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 47.0 mtt -82.13 -31.35 30.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.509 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.46 73.76 2.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.415 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.196 178.456 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.9 35.31 4.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.086 0.469 . . . . 0.0 110.57 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 t -80.22 179.72 7.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.293 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' HD2' ' A' ' 6' ' ' LYS . . . -119.58 67.44 0.39 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.767 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 mm -63.26 126.54 21.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.364 0.602 . . . . 0.0 110.984 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.653 ' H ' ' HB3' ' A' ' 16' ' ' SER . 3.9 mptt -104.37 162.12 20.82 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.812 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -55.63 -25.34 49.85 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.214 2.609 . . . . 0.0 112.195 -177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.737 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 14.5 m-85 -114.71 120.94 41.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.335 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -132.87 142.28 48.85 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.842 -171.217 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -87.96 122.94 69.79 Favored Pre-proline 0 N--CA 1.446 -0.638 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.567 174.388 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -84.7 11.05 3.49 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.349 2.033 . . . . 0.0 112.239 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -106.35 -52.68 2.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.088 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.752 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.1 m -107.18 -2.34 20.98 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -178.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.446 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 9.0 t0 69.53 31.21 3.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.345 0.593 . . . . 0.0 110.217 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.752 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 9.9 m95 -78.93 151.55 31.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.903 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.653 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 1.3 m -133.49 134.69 43.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.85 0.357 . . . . 0.0 110.809 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 73.4 m-85 -134.16 139.81 46.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.331 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -11.6 57.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.118 0.485 . . . . 0.0 110.156 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -115.33 130.3 56.86 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.992 0.901 . . . . 0.0 110.931 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.737 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 7.0 p -60.93 -34.56 74.9 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.416 -1.72 . . . . 0.0 110.557 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -29.25 62.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.797 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -40.42 60.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.565 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 8' ' ' PHE . 29.2 tp -64.15 -44.23 92.76 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.0 79.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.68 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.42 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -67.73 -30.48 69.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 178.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -85.43 -29.57 24.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.957 0.408 . . . . 0.0 111.016 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 3.1 mtp180 -92.46 12.41 22.92 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 122.086 -0.384 . . . . 0.0 111.104 -177.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 25' ' ' LEU . 80.7 mttt -64.07 -46.3 84.93 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.189 0.518 . . . . 0.0 110.117 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.774 ' HA ' HD12 ' A' ' 32' ' ' LEU . 4.3 ptm180 -68.94 -21.31 64.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.475 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 12.9 m-70 -83.54 -13.07 55.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.4 mtt -93.75 1.31 56.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.136 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -77.16 69.19 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.872 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.054 -179.735 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.81 155.24 17.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.765 0.317 . . . . 0.0 110.205 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.84 137.46 36.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.725 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.06 -49.44 6.36 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.38 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.8 mm -91.18 139.39 17.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -116.57 160.17 37.4 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.345 -178.337 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -61.19 -21.04 70.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.303 2.669 . . . . 0.0 112.734 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.739 ' HB3' HD22 ' A' ' 23' ' ' LEU . 45.6 m-85 -114.4 97.6 6.42 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 143.16 45.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.42 -174.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 3.5 t -85.38 126.34 67.23 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.322 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -83.82 -5.07 10.66 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.582 2.188 . . . . 0.0 111.914 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -93.52 -50.52 5.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.422 -177.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.773 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.3 m -106.31 -10.99 16.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.709 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 72.26 33.12 1.58 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.607 0.567 . . . . 0.0 110.584 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.773 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 21.4 m95 -77.75 154.6 31.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.53 175.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.87 130.38 43.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.955 0.407 . . . . 0.0 111.015 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 62.3 m-85 -130.54 139.91 50.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.952 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -9.69 55.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.471 0.653 . . . . 0.0 109.905 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -121.19 134.07 55.2 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 122.209 1.004 . . . . 0.0 111.062 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.69 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 4.2 p -58.42 -44.2 89.01 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 112.907 -1.952 . . . . 0.0 111.024 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.71 -32.97 74.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.28 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -72.8 -41.64 64.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.525 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 8' ' ' PHE . 17.3 tp -62.96 -43.25 99.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.962 176.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.3 79.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.495 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -68.18 -23.0 64.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 177.735 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 67.8 t60 -92.23 -35.72 13.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.169 0.509 . . . . 0.0 110.83 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 4.7 mtp180 -90.37 1.02 57.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.773 -173.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' A' ' 25' ' ' LEU . 20.5 pttp -71.27 -30.46 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.381 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 15.9 ptp180 -70.32 -25.27 63.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.384 0.611 . . . . 0.0 110.18 174.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -78.64 -13.61 59.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.538 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.8 mtt -90.49 0.7 57.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.324 174.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.0 mt 59.8 41.93 17.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.048 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.198 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.68 69.22 2.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.044 0.449 . . . . 0.0 110.633 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.99 116.45 19.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -177.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.82 -38.02 4.53 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.916 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.8 mm -76.83 110.49 12.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.051 0.453 . . . . 0.0 111.213 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 161.2 24.04 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.831 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -55.64 -30.01 73.19 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.957 2.438 . . . . 0.0 111.82 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.748 ' CE2' ' HB3' ' A' ' 20' ' ' SER . 13.3 m-85 -114.26 113.22 24.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.235 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.28 135.86 37.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.632 -173.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.91 126.28 80.26 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.63 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -83.79 -5.11 10.68 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.665 2.244 . . . . 0.0 111.512 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -91.83 -48.44 6.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.277 -177.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.681 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.2 m -113.17 -4.27 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 66.05 34.33 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.223 0.535 . . . . 0.0 110.484 -175.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.681 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 13.3 m95 -79.98 135.76 36.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.486 175.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.2 128.45 54.23 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.965 0.412 . . . . 0.0 111.514 -174.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 38.7 m-85 -131.32 138.03 49.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.606 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -7.65 58.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.146 0.498 . . . . 0.0 110.194 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -122.5 136.2 54.83 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-O 122.01 0.91 . . . . 0.0 110.595 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.748 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 2.5 p -61.2 -41.25 96.5 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 113.365 -1.743 . . . . 0.0 110.844 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -29.13 69.9 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.081 177.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 1.4 m80 -71.54 -41.94 68.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.057 0.456 . . . . 0.0 110.503 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 8' ' ' PHE . 33.0 tp -67.04 -45.09 78.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.179 178.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.75 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.847 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -70.89 -18.78 62.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.515 177.079 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -99.56 -44.53 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 0.0 110.482 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -78.81 2.51 19.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.401 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -61.65 -39.34 90.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.784 176.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.79 -12.05 60.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -84.28 -23.51 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.411 0.625 . . . . 0.0 109.891 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -37.14 83.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.459 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -110.91 44.45 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.65 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.266 -0.874 . . . . 0.0 109.809 177.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.91 109.55 20.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.07 0.462 . . . . 0.0 110.983 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.8 0.64 30.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.391 0.615 . . . . 0.0 110.472 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.78 -68.07 1.52 Allowed Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.431 176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.0 mm -83.62 124.32 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.711 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -109.58 159.62 30.87 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.675 -177.351 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -57.93 -27.95 80.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.207 2.605 . . . . 0.0 112.308 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.752 ' HB3' HD22 ' A' ' 23' ' ' LEU . 21.4 m-85 -110.39 104.22 12.96 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.193 176.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.16 135.67 54.44 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.189 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -79.63 131.88 63.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.066 176.668 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -91.36 1.76 4.55 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.957 2.438 . . . . 0.0 112.373 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.44 -42.74 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.275 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.717 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.7 m -117.78 -4.14 11.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.37 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 t0 68.0 36.31 3.4 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.294 0.569 . . . . 0.0 110.165 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.717 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.9 m95 -80.51 149.41 30.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.011 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.711 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -128.48 130.94 48.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.862 0.363 . . . . 0.0 111.282 -176.828 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 48.5 m-85 -135.38 135.89 41.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.483 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.08 -13.65 55.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.163 0.506 . . . . 0.0 110.31 178.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -118.26 134.65 54.84 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.908 0.861 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.664 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.5 p -62.75 -39.47 94.24 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 113.791 -1.55 . . . . 0.0 111.226 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -64.81 -34.66 78.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.784 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -67.56 -42.6 82.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.64 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 8' ' ' PHE . 28.3 tp -64.18 -43.0 96.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.19 177.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.76 76.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.967 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.6 mp -70.13 -18.48 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.539 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -96.09 -43.28 7.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.476 0.655 . . . . 0.0 109.931 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HE ' ' HB3' ' A' ' 27' ' ' ARG . 2.1 mtp180 -82.08 9.89 7.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.579 -175.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.78 -30.36 71.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.222 0.534 . . . . 0.0 109.999 175.517 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 16.81 18.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.606 178.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -115.98 21.81 13.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.116 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.7 mtt -109.66 17.92 20.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.209 -175.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.14 35.14 8.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.743 -176.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.915 176.594 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.475 ' HD3' ' HD2' ' A' ' 7' ' ' PRO . 7.8 mmtp . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.475 ' HD2' ' HD3' ' A' ' 6' ' ' LYS . 11.4 Cg_endo -59.57 -21.71 63.47 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.068 2.512 . . . . 0.0 112.374 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.698 ' HB3' HD22 ' A' ' 23' ' ' LEU . 19.0 m-85 -122.38 109.43 14.39 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.53 142.05 51.63 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.981 0.419 . . . . 0.0 111.837 -172.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -82.22 127.88 69.75 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.177 173.224 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -86.13 4.73 6.33 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.615 2.21 . . . . 0.0 112.199 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -104.46 -55.94 2.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.386 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.8 m -97.84 -12.23 22.39 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 t0 72.33 35.51 1.19 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.719 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.581 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 3.1 m95 -75.49 151.83 37.95 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.693 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.88 129.85 44.45 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.973 0.416 . . . . 0.0 110.869 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.9 m-85 -129.81 137.94 50.76 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.383 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -13.61 55.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.799 178.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.453 ' HB3' ' OD1' ' A' ' 21' ' ' ASP . 2.6 mtm-85 -121.12 138.25 54.29 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.263 1.03 . . . . 0.0 111.77 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.671 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 6.3 p -63.24 -43.3 98.44 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.764 -177.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' OD1' ' HB3' ' A' ' 19' ' ' ARG . 13.9 p-10 -66.83 -30.84 71.12 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.022 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -69.88 -40.7 75.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.314 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.698 HD22 ' HB3' ' A' ' 8' ' ' PHE . 21.5 tp -65.59 -43.74 88.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.271 177.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.86 -36.67 84.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.804 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.47 66.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.711 177.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 74.2 t60 -96.53 -45.57 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.014 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.66 -9.73 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -173.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -30.35 71.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.666 0.27 . . . . 0.0 110.622 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 2.8 ptp180 -74.19 -11.4 60.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.976 0.417 . . . . 0.0 110.614 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 121.497 0.665 . . . . 0.0 109.974 177.739 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mttt . . . . . 0 C--O 1.234 0.288 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -59.38 -16.77 36.76 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.299 2.666 . . . . 0.0 112.633 -174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.732 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 31.1 m-85 -122.19 101.75 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.824 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.76 137.05 50.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.414 -173.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -77.4 130.46 74.37 Favored Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.736 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -88.06 6.5 4.92 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.816 2.344 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -107.7 -55.33 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.0 111.503 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.579 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.8 m -102.11 -6.19 23.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.086 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t0 68.4 34.04 3.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.169 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.579 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 6.7 m95 -74.57 160.34 31.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.865 176.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.55 129.73 29.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 74.3 m-85 -130.09 140.87 50.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.368 -178.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -12.18 52.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.361 0.601 . . . . 0.0 109.719 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -117.67 130.81 56.58 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 122.187 0.994 . . . . 0.0 110.72 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.732 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.6 p -60.59 -36.26 78.12 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 113.316 -1.765 . . . . 0.0 110.773 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -36.03 81.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.779 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -69.92 -40.61 75.46 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.66 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.654 HD22 ' HB3' ' A' ' 8' ' ' PHE . 35.6 tp -63.41 -45.12 92.48 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.27 87.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.973 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.34 -30.53 70.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.998 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -83.45 -28.17 28.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.279 0.562 . . . . 0.0 110.188 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -94.2 12.86 25.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.591 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -67.13 -40.14 86.73 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -0.67 24.33 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.87 176.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.89 178.842 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.862 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.521 -0.146 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -57.75 -25.62 69.38 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.854 2.369 . . . . 0.0 111.847 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.825 ' HB3' HD22 ' A' ' 23' ' ' LEU . 6.4 m-85 -119.39 114.54 22.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.507 175.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.81 136.55 51.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.041 0.448 . . . . 0.0 111.434 -174.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.88 130.71 84.81 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.416 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -86.03 5.46 5.99 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.551 2.167 . . . . 0.0 112.424 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -109.9 -50.16 3.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.847 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.559 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -106.98 -8.98 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.309 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 69.17 30.16 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.223 -173.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.559 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.9 m95 -70.19 134.62 48.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.269 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.862 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -117.18 129.96 56.29 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.296 -174.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 75.1 m-85 -129.31 141.73 51.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.701 -176.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -8.93 55.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.377 0.608 . . . . 0.0 109.85 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -124.08 130.0 51.83 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.868 0.842 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.81 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 3.4 p -63.35 -38.62 91.85 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.189 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -30.79 71.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.613 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -73.89 -38.73 64.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.459 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 8' ' ' PHE . 19.0 tp -64.82 -41.85 95.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.856 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.44 79.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.739 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.62 -16.79 64.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.058 177.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -99.74 -47.25 5.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.22 0.533 . . . . 0.0 110.387 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -76.12 -3.63 37.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.901 -175.102 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -65.73 -32.56 74.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.15 -19.4 63.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.61 175.316 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.765 177.688 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.703 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.146 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -59.81 -22.26 67.35 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.328 2.685 . . . . 0.0 111.977 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.755 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 25.0 m-85 -117.17 120.54 38.61 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.393 -0.822 . . . . 0.0 108.979 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 140.71 47.73 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.545 -170.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.8 t -81.92 130.02 62.3 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -88.37 4.86 5.47 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.505 2.136 . . . . 0.0 112.133 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -108.54 -50.62 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.603 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.795 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.4 m -102.99 -5.97 22.86 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 67.28 31.83 6.32 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.646 0.591 . . . . 0.0 110.276 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.795 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.1 m95 -74.22 154.72 38.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.456 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.703 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -132.45 132.45 42.76 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.968 0.413 . . . . 0.0 111.133 -177.593 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' HB3' ' A' ' 6' ' ' LYS . 77.2 m-85 -133.69 142.37 47.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.279 -177.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.15 -5.25 57.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.246 0.546 . . . . 0.0 110.083 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -125.33 129.46 50.0 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.934 0.873 . . . . 0.0 110.545 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.755 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 14.0 p -59.91 -39.15 84.43 Favored 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 113.716 -1.584 . . . . 0.0 110.859 178.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.438 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.88 -32.82 74.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.227 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.438 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 2.6 m170 -76.25 -38.04 56.81 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.93 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.646 HD22 ' HB3' ' A' ' 8' ' ' PHE . 35.5 tp -63.3 -44.26 95.51 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.58 83.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.608 HD23 ' HE3' ' A' ' 28' ' ' LYS . 8.7 mt -62.24 -38.45 89.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -73.34 -38.36 65.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.312 0.577 . . . . 0.0 110.143 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -86.39 8.07 23.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.919 -174.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.608 ' HE3' HD23 ' A' ' 25' ' ' LEU . 26.4 mttt -62.79 -41.65 99.36 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 110.166 175.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -18.79 61.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.551 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.406 0.622 . . . . 0.0 110.441 178.439 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.42 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 9.3 mttt . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.27 -17.55 26.67 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.246 2.63 . . . . 0.0 112.249 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.807 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 25.6 m-85 -124.78 110.94 14.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.296 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.02 135.26 48.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -172.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.29 128.15 78.98 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.995 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -84.19 2.1 8.37 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.581 2.187 . . . . 0.0 112.55 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -103.53 -43.61 5.34 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.553 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.581 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.8 m -113.82 -9.22 13.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t70 69.86 33.27 2.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.325 0.583 . . . . 0.0 109.896 -174.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.581 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 13.0 m95 -79.62 138.72 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.694 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.42 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -118.7 131.66 56.15 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.064 0.459 . . . . 0.0 111.054 -176.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 58.6 m-85 -131.84 138.73 48.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.427 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -82.55 -11.95 58.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.11 0.481 . . . . 0.0 110.382 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -119.97 133.33 55.59 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-O 122.103 0.954 . . . . 0.0 110.548 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.807 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 3.0 p -62.59 -36.5 82.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.795 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.531 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -64.98 -37.43 87.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.679 176.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.531 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 5.5 m170 -68.49 -40.74 80.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.742 0.306 . . . . 0.0 110.53 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 8' ' ' PHE . 29.5 tp -64.45 -44.51 90.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.137 176.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -33.91 77.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.54 -23.29 65.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -92.64 -44.65 8.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.39 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -77.13 -6.93 54.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -174.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -62.84 -33.27 74.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.976 0.417 . . . . 0.0 110.609 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -4.88 51.15 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 13.7 m-70 . . . . . 0 C--N 1.325 -0.491 0 CA-C-O 121.567 0.699 . . . . 0.0 109.204 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.774 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 8.5 mptt . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -58.77 -26.9 81.95 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 123.027 2.485 . . . . 0.0 111.889 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.741 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 14.0 m-85 -116.14 103.21 10.31 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.994 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -128.61 127.57 42.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.763 -169.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -73.52 129.38 85.66 Favored Pre-proline 0 N--CA 1.441 -0.92 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.591 175.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -88.7 1.43 6.27 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.604 2.203 . . . . 0.0 112.387 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.41 -56.84 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.696 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -100.15 -5.95 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.677 179.097 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t70 66.58 39.82 3.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.503 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.696 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 31.5 m95 -86.15 116.38 24.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.058 175.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.774 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -101.23 132.32 46.8 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.033 -176.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.0 m-85 -130.24 140.91 50.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.372 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -86.43 -7.56 58.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.225 0.536 . . . . 0.0 110.201 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -120.71 132.05 54.87 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 121.873 0.844 . . . . 0.0 110.753 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.741 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 5.1 p -59.66 -44.22 93.64 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.764 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.471 ' OD1' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -62.59 -32.59 73.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.068 178.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.471 ' HD2' ' OD1' ' A' ' 21' ' ' ASP . 3.0 m170 -73.57 -40.76 63.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.154 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 8' ' ' PHE . 14.3 tp -68.79 -40.13 79.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.265 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.41 74.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.096 0.474 . . . . 0.0 110.244 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.418 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 2.8 mt -66.4 -28.15 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.336 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -89.4 -46.37 8.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.842 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.486 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -80.48 14.27 2.11 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -66.78 -30.28 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.116 0.484 . . . . 0.0 109.724 174.297 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.1 13.67 22.36 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.426 176.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.879 178.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 10.7 mmtt . . . . . 0 CA--C 1.519 -0.247 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.16 -18.85 24.94 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.13 2.553 . . . . 0.0 112.273 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.72 ' HB3' HD22 ' A' ' 23' ' ' LEU . 17.8 m-85 -128.85 119.6 24.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.99 136.39 42.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.802 0.334 . . . . 0.0 111.591 -173.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -77.86 131.62 69.9 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.306 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -87.89 -1.57 7.24 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.424 2.083 . . . . 0.0 112.53 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -99.3 -54.56 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.517 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.485 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.8 m -98.74 -12.77 20.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.625 0.25 . . . . 0.0 110.802 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.468 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 5.3 t70 71.32 32.83 2.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.021 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.591 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 7.1 m95 -73.36 137.49 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.865 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.99 133.45 56.02 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.997 0.427 . . . . 0.0 111.082 -176.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 59.8 m-85 -134.32 137.45 44.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.299 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -9.0 58.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.29 0.567 . . . . 0.0 109.914 177.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 133.9 54.74 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 122.137 0.97 . . . . 0.0 111.304 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.71 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 4.0 p -60.21 -43.5 95.93 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 113.266 -1.788 . . . . 0.0 111.362 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -37.1 80.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.0 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 2.0 m170 -67.16 -42.91 83.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.333 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 8' ' ' PHE . 40.3 tp -63.9 -45.57 88.72 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.233 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -35.56 80.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.26 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -69.77 -25.3 63.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.089 0.471 . . . . 0.0 110.401 179.203 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -87.59 -44.55 11.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.439 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -77.25 6.46 6.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.03 -176.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 2.3 ptmt -66.19 -31.59 72.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.968 0.413 . . . . 0.0 110.187 175.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -91.4 17.44 8.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 178.035 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.398 179.643 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.615 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -59.6 -13.21 20.38 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 123.197 2.598 . . . . 0.0 112.546 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.775 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 23.6 m-85 -128.8 113.86 15.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.186 176.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -127.91 140.06 52.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.893 0.377 . . . . 0.0 111.326 -173.283 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -84.1 127.33 67.18 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.531 174.066 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -89.4 6.57 4.4 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.832 2.355 . . . . 0.0 112.457 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -106.75 -45.18 4.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.772 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.655 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -110.43 -7.62 14.76 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.408 -0.117 . . . . 0.0 111.189 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.22 38.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.042 -175.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.655 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 9.2 m95 -83.9 153.36 24.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.636 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.615 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -133.65 132.88 41.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.914 0.388 . . . . 0.0 110.999 -178.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 61.4 m-85 -134.6 138.98 45.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.461 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.25 -7.44 59.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.213 0.53 . . . . 0.0 110.334 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -123.0 130.38 52.73 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.982 0.896 . . . . 0.0 110.458 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 8.0 p -62.07 -35.16 77.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 113.773 -1.558 . . . . 0.0 110.822 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.457 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.26 -32.33 73.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.066 176.512 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.457 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 3.0 m170 -75.13 -39.54 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.243 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.711 HD22 ' HB3' ' A' ' 8' ' ' PHE . 41.3 tp -65.74 -45.87 81.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.094 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.22 -40.4 74.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.297 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -74.72 -37.57 62.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.439 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HE ' ' HB2' ' A' ' 30' ' ' HIS . 1.6 mtp180 -85.46 11.13 11.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.72 -175.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -28.8 67.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 109.963 176.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.55 18.47 9.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.288 175.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.493 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 9.0 m-70 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.33 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.767 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 1.1 mptt . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.77 0.319 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -60.69 -23.72 76.8 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.013 2.475 . . . . 0.0 112.093 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.707 ' HB3' HD22 ' A' ' 23' ' ' LEU . 22.4 m-85 -112.07 106.69 15.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.119 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.582 ' NE2' ' HA ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -123.8 139.51 53.9 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.233 -170.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 2.1 t -84.03 125.95 71.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.622 176.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -82.2 -0.39 10.22 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.538 2.159 . . . . 0.0 112.407 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -101.06 -55.85 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.711 0.291 . . . . 0.0 111.743 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.572 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.5 m -98.74 -9.21 24.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.084 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.582 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER 70.42 29.61 3.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.21 -174.62 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.572 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.5 m95 -71.65 151.62 43.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.12 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.767 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -128.98 131.0 47.39 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.772 0.32 . . . . 0.0 111.117 -178.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 67.8 m-85 -132.51 134.78 45.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.354 -178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -9.5 58.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.126 0.488 . . . . 0.0 109.888 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -115.68 131.66 56.87 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 121.66 0.743 . . . . 0.0 110.392 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.626 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 20.4 p -60.42 -42.93 97.04 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.007 -1.452 . . . . 0.0 110.524 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -32.65 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.053 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -71.2 -39.78 71.57 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.762 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' A' ' 8' ' ' PHE . 16.4 tp -65.94 -43.32 88.34 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -35.35 78.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.604 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.503 HD23 ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -65.87 -25.98 67.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.132 0.492 . . . . 0.0 110.59 176.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 73.0 t60 -90.2 -38.49 13.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.913 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 3.1 mtp180 -88.53 -3.86 58.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.294 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HE2' HD23 ' A' ' 25' ' ' LEU . 32.8 pttt -69.08 -32.96 72.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.771 0.319 . . . . 0.0 110.536 177.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -77.18 -18.13 58.03 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.14 0.495 . . . . 0.0 109.791 175.7 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 7.2 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.235 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.592 0.234 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -59.58 -18.97 50.22 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.234 2.622 . . . . 0.0 112.841 -175.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.775 ' HB3' HD22 ' A' ' 23' ' ' LEU . 28.6 m-85 -119.66 100.09 7.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.735 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.35 141.52 45.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.707 -173.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.477 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -82.79 131.03 55.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.668 173.304 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -87.39 3.6 6.36 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.766 2.311 . . . . 0.0 112.421 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -105.7 -54.83 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 111.86 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.592 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -100.65 -6.89 24.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 68.3 31.71 5.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.793 -174.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.592 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 7.9 m95 -72.8 153.63 41.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.25 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.1 m -134.4 129.4 35.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.755 0.312 . . . . 0.0 110.466 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 75.0 m-85 -127.1 139.44 52.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.214 -177.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -15.7 51.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.201 0.524 . . . . 0.0 110.083 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.99 132.48 56.69 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 121.809 0.814 . . . . 0.0 110.729 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 79.7 p -61.69 -37.65 84.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.609 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.447 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -61.29 -39.81 91.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.79 176.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.447 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 1.9 m170 -68.78 -41.14 79.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.637 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.775 HD22 ' HB3' ' A' ' 8' ' ' PHE . 20.3 tp -66.08 -41.46 90.65 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.285 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.95 86.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.428 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.55 -29.62 70.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.144 0.497 . . . . 0.0 110.414 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.458 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 81.3 t60 -87.45 -38.3 16.22 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.362 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 27' ' ' ARG . 1.2 mtp180 -89.26 -5.57 57.5 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.149 -0.344 . . . . 0.0 111.816 -173.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -73.3 -27.73 61.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 110.193 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -85.61 6.64 26.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.23 174.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 4.4 m-70 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 177.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 mttt . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -55.51 -23.83 41.29 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 123.18 2.587 . . . . 0.0 112.335 -175.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.718 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 26.7 m-85 -118.11 100.96 7.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.747 178.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.86 143.39 48.93 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.029 -174.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.7 t -81.39 127.41 73.61 Favored Pre-proline 0 N--CA 1.447 -0.604 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.392 176.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.11 7.55 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.729 2.286 . . . . 0.0 112.18 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.16 -53.82 2.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.475 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.714 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.2 m -106.1 -2.6 22.46 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -176.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 67.18 28.68 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.326 0.584 . . . . 0.0 110.503 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.714 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.0 m95 -72.57 144.22 47.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 174.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -129.85 126.92 39.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.033 0.444 . . . . 0.0 110.577 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 58.6 m-85 -126.76 140.39 52.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.282 -176.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.09 -10.47 57.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.284 0.564 . . . . 0.0 109.904 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -120.8 135.1 55.24 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 121.979 0.895 . . . . 0.0 111.073 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.718 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 2.6 p -61.08 -41.59 96.93 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 113.456 -1.702 . . . . 0.0 111.075 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.435 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.87 -36.24 83.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.716 177.629 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.435 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 3.6 m170 -67.99 -40.28 83.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.743 0.306 . . . . 0.0 110.65 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 8' ' ' PHE . 34.2 tp -64.86 -44.74 88.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.166 176.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -33.87 76.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.918 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -65.6 -29.91 70.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.294 177.484 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 69.0 t60 -86.62 -46.25 10.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.927 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -77.49 2.68 15.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.534 -175.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 2.6 ptpt -66.49 -30.13 70.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 110.24 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 16.0 ptp180 -82.38 -2.93 54.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.805 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 19.3 m-70 . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.795 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -55.14 -22.76 33.2 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 123.19 2.593 . . . . 0.0 112.183 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.893 ' HB3' HD22 ' A' ' 23' ' ' LEU . 20.8 m-85 -118.99 127.74 53.74 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.39 138.11 41.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.244 0.545 . . . . 0.0 111.689 -171.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -80.07 129.92 68.3 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.281 174.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -88.49 5.13 5.32 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.501 2.134 . . . . 0.0 112.632 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -109.29 -51.39 2.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -176.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.543 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -102.7 -6.34 22.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 178.047 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 69.23 35.13 2.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.435 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.543 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.1 m95 -76.65 153.18 35.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.835 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -131.11 130.37 43.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.714 0.292 . . . . 0.0 110.741 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 84.2 m-85 -127.87 138.06 52.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.77 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -16.3 58.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.274 0.559 . . . . 0.0 110.388 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -120.36 130.48 54.42 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 121.895 0.855 . . . . 0.0 110.633 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.838 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 5.0 p -61.42 -35.87 78.75 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 113.699 -1.591 . . . . 0.0 110.525 178.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -38.81 92.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.053 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -71.71 -36.82 70.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.564 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.893 HD22 ' HB3' ' A' ' 8' ' ' PHE . 17.6 tp -65.41 -42.54 92.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.142 176.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.01 74.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.652 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' LEU . 2.9 tp -68.73 -25.84 64.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.794 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -90.79 -32.65 16.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.49 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.22 19.4 5.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.508 -175.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.67 -46.42 79.2 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.85 5.8 5.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.082 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.165 177.605 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mttm . . . . . 0 CA--C 1.519 -0.222 0 CA-C-O 120.401 0.143 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.81 -24.69 57.17 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.373 2.715 . . . . 0.0 112.723 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.737 ' HB3' HD22 ' A' ' 23' ' ' LEU . 44.0 m-85 -112.12 95.97 5.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.896 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.31 137.69 48.74 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.853 -176.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.9 t -79.51 124.25 83.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 175.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.91 4.07 7.26 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.58 2.187 . . . . 0.0 112.356 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -105.72 -47.56 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.536 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.581 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.5 m -111.95 -4.53 14.51 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t0 69.13 35.98 2.56 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.588 0.709 . . . . 0.0 110.203 -177.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.581 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 10.4 m95 -83.7 151.76 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.634 175.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.63 127.97 38.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.914 0.387 . . . . 0.0 111.394 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 43.4 m-85 -129.11 141.11 51.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.204 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -16.63 47.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.966 0.412 . . . . 0.0 110.437 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -119.7 133.66 55.54 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 122.102 0.953 . . . . 0.0 111.258 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.647 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.1 p -57.19 -42.61 81.53 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.089 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.504 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.28 -30.53 71.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.538 179.494 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.504 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 9.7 m170 -72.95 -44.45 61.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.44 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 8' ' ' PHE . 19.8 tp -62.72 -43.49 98.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.164 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.25 -33.97 76.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.765 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -70.46 -25.34 63.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.739 177.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -86.62 -41.29 14.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.471 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 5.4 mtp180 -84.67 4.89 30.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.489 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -67.01 -27.38 67.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.307 0.575 . . . . 0.0 109.936 175.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -92.33 19.65 6.88 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.267 176.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.471 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 7.6 m-70 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.811 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -59.27 -14.17 23.2 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.489 2.793 . . . . 0.0 112.683 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.753 ' HB3' HD22 ' A' ' 23' ' ' LEU . 37.5 m-85 -123.13 108.63 13.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.385 177.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.02 139.55 53.83 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.611 -171.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 4.4 t -82.95 122.51 77.95 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.02 -0.24 10.59 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.404 2.069 . . . . 0.0 112.092 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -98.81 -54.36 3.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.663 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.557 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 3.2 m -102.58 -7.12 22.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.472 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t0 71.02 28.71 3.1 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.708 0.63 . . . . 0.0 109.994 -175.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.557 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 6.2 m95 -72.81 153.3 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.811 177.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -134.52 128.19 32.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.031 0.444 . . . . 0.0 110.931 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 57.5 m-85 -127.73 140.26 52.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.238 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.31 -13.6 52.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.323 0.583 . . . . 0.0 110.145 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 19' ' ' ARG . 6.0 mtp85 -115.84 131.85 56.82 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-O 121.871 0.843 . . . . 0.0 110.595 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.7 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 8.3 p -60.53 -39.4 87.71 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 113.661 -1.609 . . . . 0.0 110.808 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.496 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.23 -32.42 74.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.086 178.046 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.496 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 3.6 m170 -73.28 -39.62 65.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.878 0.37 . . . . 0.0 110.51 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 8' ' ' PHE . 28.2 tp -65.18 -43.79 90.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.106 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.66 78.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 25' ' ' LEU . 4.5 mt -65.24 -24.58 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.542 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 72.7 t60 -93.73 -38.63 11.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.873 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 1.4 mtp-105 -85.24 -8.13 58.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.233 -0.292 . . . . 0.0 111.744 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -32.01 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.372 . . . . 0.0 110.673 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 7.5 ptp180 -74.63 -16.81 60.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.55 0.69 . . . . 0.0 109.583 178.212 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 2.3 mttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -53.53 -28.49 45.54 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.34 2.693 . . . . 0.0 112.209 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.799 ' HB3' HD22 ' A' ' 23' ' ' LEU . 14.8 m-85 -109.59 128.55 55.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.968 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -145.73 141.57 28.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.16 0.505 . . . . 0.0 111.683 -172.405 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -84.08 128.54 62.18 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.932 175.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -85.08 2.6 7.83 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.611 2.208 . . . . 0.0 112.551 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -103.46 -50.46 3.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.92 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.488 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 3.2 m -103.24 -10.4 18.78 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.387 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t0 73.49 32.81 1.15 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.86 0.725 . . . . 0.0 109.849 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 5.1 m95 -78.07 148.76 34.11 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.129 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.562 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -126.34 135.44 51.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.784 0.326 . . . . 0.0 110.802 178.389 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 64.0 m-85 -134.17 137.92 44.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.1 -13.6 52.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.25 0.548 . . . . 0.0 110.154 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -121.28 132.4 54.78 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 122.031 0.919 . . . . 0.0 110.707 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.777 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 4.8 p -61.58 -36.2 79.99 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 113.49 -1.686 . . . . 0.0 110.905 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -33.7 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.982 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.33 -39.98 62.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 8' ' ' PHE . 15.0 tp -65.37 -42.16 93.02 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.198 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.09 -27.25 67.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -20.29 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.237 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -97.28 -46.74 6.0 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.044 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -79.9 -3.14 46.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -173.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -61.07 -35.25 76.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.807 0.336 . . . . 0.0 110.769 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -12.65 59.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.182 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.39 0.614 . . . . 0.0 110.652 -179.14 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.713 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 1.4 mttt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -55.37 -23.83 40.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.119 2.546 . . . . 0.0 112.386 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.779 ' HB3' HD22 ' A' ' 23' ' ' LEU . 23.7 m-85 -116.97 114.92 24.5 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.615 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.88 135.24 49.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.029 0.443 . . . . 0.0 111.385 -173.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.484 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -77.12 128.17 81.66 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.942 175.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -87.19 8.57 4.28 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.769 2.312 . . . . 0.0 112.533 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -109.54 -51.7 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.761 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.6 m -107.39 -10.38 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.933 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.92 39.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.025 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.761 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 10.8 m95 -81.17 145.23 31.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.289 175.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.713 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -121.88 132.88 54.8 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.11 -177.153 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.9 m-85 -135.69 139.08 43.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -176.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.26 -11.12 50.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.153 0.501 . . . . 0.0 110.219 178.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -122.18 133.61 54.73 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.906 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.537 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 87.6 p -59.75 -39.09 83.65 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.017 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -36.86 85.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.62 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -69.04 -40.42 78.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 8' ' ' PHE . 27.0 tp -65.03 -44.63 88.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.24 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.37 75.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.224 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -21.94 65.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.164 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -94.84 -41.45 9.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.337 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.484 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 4.7 mtp180 -84.24 14.19 4.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.756 -176.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -33.51 73.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.96 21.7 3.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.126 174.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.744 179.37 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 3.9 mptt . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -55.63 -25.34 49.85 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.214 2.609 . . . . 0.0 112.195 -177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.737 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 14.5 m-85 -114.71 120.94 41.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.335 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -132.87 142.28 48.85 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.842 -171.217 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -87.96 122.94 69.79 Favored Pre-proline 0 N--CA 1.446 -0.638 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.567 174.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -84.7 11.05 3.49 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.349 2.033 . . . . 0.0 112.239 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -106.35 -52.68 2.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.088 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.752 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.1 m -107.18 -2.34 20.98 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -178.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.446 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 9.0 t0 69.53 31.21 3.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.345 0.593 . . . . 0.0 110.217 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.752 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 9.9 m95 -78.93 151.55 31.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.903 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -133.49 134.69 43.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.85 0.357 . . . . 0.0 110.809 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 73.4 m-85 -134.16 139.81 46.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.331 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -11.6 57.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.118 0.485 . . . . 0.0 110.156 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -115.33 130.3 56.86 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.992 0.901 . . . . 0.0 110.931 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.737 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 7.0 p -60.93 -34.56 74.9 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.416 -1.72 . . . . 0.0 110.557 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -29.25 62.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.797 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -74.87 -40.42 60.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.565 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 8' ' ' PHE . 29.2 tp -64.15 -44.23 92.76 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.0 79.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.68 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.42 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -67.73 -30.48 69.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 178.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -85.43 -29.57 24.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.957 0.408 . . . . 0.0 111.016 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 3.1 mtp180 -92.46 12.41 22.92 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 122.086 -0.384 . . . . 0.0 111.104 -177.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 25' ' ' LEU . 80.7 mttt -64.07 -46.3 84.93 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.189 0.518 . . . . 0.0 110.117 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -68.94 -21.31 64.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.475 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 12.9 m-70 . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 177.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 110.345 -0.242 . . . . 0.0 110.345 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -61.19 -21.04 70.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.303 2.669 . . . . 0.0 112.734 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.739 ' HB3' HD22 ' A' ' 23' ' ' LEU . 45.6 m-85 -114.4 97.6 6.42 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 143.16 45.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.42 -174.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 3.5 t -85.38 126.34 67.23 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.322 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -83.82 -5.07 10.66 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.582 2.188 . . . . 0.0 111.914 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -93.52 -50.52 5.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.422 -177.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.773 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.3 m -106.31 -10.99 16.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.709 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 72.26 33.12 1.58 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.607 0.567 . . . . 0.0 110.584 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.773 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 21.4 m95 -77.75 154.6 31.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.53 175.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.87 130.38 43.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.955 0.407 . . . . 0.0 111.015 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 62.3 m-85 -130.54 139.91 50.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.952 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -9.69 55.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.471 0.653 . . . . 0.0 109.905 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -121.19 134.07 55.2 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 122.209 1.004 . . . . 0.0 111.062 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.69 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 4.2 p -58.42 -44.2 89.01 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 112.907 -1.952 . . . . 0.0 111.024 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.71 -32.97 74.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.28 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -72.8 -41.64 64.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.525 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 8' ' ' PHE . 17.3 tp -62.96 -43.25 99.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.962 176.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.3 79.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.495 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -68.18 -23.0 64.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 177.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 67.8 t60 -92.23 -35.72 13.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.169 0.509 . . . . 0.0 110.83 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 4.7 mtp180 -90.37 1.02 57.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.773 -173.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' A' ' 25' ' ' LEU . 20.5 pttp -71.27 -30.46 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.381 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 15.9 ptp180 -70.32 -25.27 63.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.384 0.611 . . . . 0.0 110.18 174.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.538 178.84 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -55.64 -30.01 73.19 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.957 2.438 . . . . 0.0 111.82 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.748 ' CE2' ' HB3' ' A' ' 20' ' ' SER . 13.3 m-85 -114.26 113.22 24.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.235 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.28 135.86 37.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.632 -173.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.91 126.28 80.26 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.63 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -83.79 -5.11 10.68 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.665 2.244 . . . . 0.0 111.512 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -91.83 -48.44 6.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.277 -177.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.681 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.2 m -113.17 -4.27 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 66.05 34.33 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.223 0.535 . . . . 0.0 110.484 -175.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.681 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 13.3 m95 -79.98 135.76 36.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.486 175.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.2 128.45 54.23 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.965 0.412 . . . . 0.0 111.514 -174.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 38.7 m-85 -131.32 138.03 49.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.606 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -7.65 58.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.146 0.498 . . . . 0.0 110.194 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -122.5 136.2 54.83 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-O 122.01 0.91 . . . . 0.0 110.595 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.748 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 2.5 p -61.2 -41.25 96.5 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 113.365 -1.743 . . . . 0.0 110.844 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.434 ' OD1' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.22 -29.13 69.9 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.081 177.56 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.445 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 5.5 m170 -71.54 -41.94 68.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.057 0.456 . . . . 0.0 110.503 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 8' ' ' PHE . 33.0 tp -67.04 -45.09 78.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.179 178.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.75 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.847 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -70.89 -18.78 62.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.515 177.079 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -99.56 -44.53 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 0.0 110.482 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -78.81 2.51 19.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.401 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -61.65 -39.34 90.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.784 176.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.79 -12.05 60.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.411 0.625 . . . . 0.0 109.891 176.701 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.711 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.584 0.23 . . . . 0.0 110.675 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -57.93 -27.95 80.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.207 2.605 . . . . 0.0 112.308 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.752 ' HB3' HD22 ' A' ' 23' ' ' LEU . 21.4 m-85 -110.39 104.22 12.96 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.193 176.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.16 135.67 54.44 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.189 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -79.63 131.88 63.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.066 176.668 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -91.36 1.76 4.55 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.957 2.438 . . . . 0.0 112.373 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.44 -42.74 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.275 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.717 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.7 m -117.78 -4.14 11.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.37 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 t0 68.0 36.31 3.4 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.294 0.569 . . . . 0.0 110.165 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.717 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.9 m95 -80.51 149.41 30.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.011 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.711 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -128.48 130.94 48.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.862 0.363 . . . . 0.0 111.282 -176.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 48.5 m-85 -135.38 135.89 41.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.483 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.08 -13.65 55.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.163 0.506 . . . . 0.0 110.31 178.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -118.26 134.65 54.84 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.908 0.861 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.664 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.5 p -62.75 -39.47 94.24 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 113.791 -1.55 . . . . 0.0 111.226 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -64.81 -34.66 78.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.784 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -67.56 -42.6 82.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.64 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 8' ' ' PHE . 28.3 tp -64.18 -43.0 96.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.19 177.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.76 76.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.967 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.6 mp -70.13 -18.48 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.539 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -96.09 -43.28 7.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.476 0.655 . . . . 0.0 109.931 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HE ' ' HB3' ' A' ' 27' ' ' ARG . 2.1 mtp180 -82.08 9.89 7.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.579 -175.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.78 -30.36 71.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.222 0.534 . . . . 0.0 109.999 175.517 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 16.81 18.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.606 178.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.116 178.786 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.896 -0.481 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.43 169.89 11.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.695 0.283 . . . . 0.0 110.588 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.533 ' HB ' HG12 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -79.58 161.4 25.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.373 178.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.61 54.08 4.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.175 -0.535 . . . . 0.0 112.118 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.533 HG12 ' HB ' ' A' ' 3' ' ' THR . 22.2 mm -80.57 143.94 11.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 120.897 0.38 . . . . 0.0 110.686 -178.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' HD3' ' HD2' ' A' ' 7' ' ' PRO . 7.8 mmtp -124.44 158.43 61.57 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.954 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.475 ' HD2' ' HD3' ' A' ' 6' ' ' LYS . 11.4 Cg_endo -59.57 -21.71 63.47 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 123.068 2.512 . . . . 0.0 112.374 -176.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.698 ' HB3' HD22 ' A' ' 23' ' ' LEU . 19.0 m-85 -122.38 109.43 14.39 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.53 142.05 51.63 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.981 0.419 . . . . 0.0 111.837 -172.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -82.22 127.88 69.75 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.177 173.224 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -86.13 4.73 6.33 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 122.615 2.21 . . . . 0.0 112.199 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -104.46 -55.94 2.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.386 -176.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.8 m -97.84 -12.23 22.39 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.2 t0 72.33 35.51 1.19 Allowed 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.719 -173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.581 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 3.1 m95 -75.49 151.83 37.95 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.693 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.88 129.85 44.45 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 120.973 0.416 . . . . 0.0 110.869 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.9 m-85 -129.81 137.94 50.76 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.383 -178.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.81 -13.61 55.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.799 178.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.453 ' HB3' ' OD1' ' A' ' 21' ' ' ASP . 2.6 mtm-85 -121.12 138.25 54.29 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 122.263 1.03 . . . . 0.0 111.77 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.671 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 6.3 p -63.24 -43.3 98.44 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.764 -177.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' OD1' ' HB3' ' A' ' 19' ' ' ARG . 13.9 p-10 -66.83 -30.84 71.12 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.022 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -69.88 -40.7 75.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.314 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.698 HD22 ' HB3' ' A' ' 8' ' ' PHE . 21.5 tp -65.59 -43.74 88.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.271 177.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.86 -36.67 84.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.804 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.47 66.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.711 177.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 74.2 t60 -96.53 -45.57 6.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.014 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -77.66 -9.73 59.13 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -173.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -30.35 71.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.666 0.27 . . . . 0.0 110.622 178.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 2.8 ptp180 -74.19 -11.4 60.28 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 120.976 0.417 . . . . 0.0 110.614 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -97.59 -29.11 13.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.497 0.665 . . . . 0.0 109.974 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 3.2 mtt -88.21 -48.84 7.39 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.263 -175.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt 58.17 42.69 21.73 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.474 0.654 . . . . 0.0 110.456 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 C--O 1.25 1.082 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.063 -179.064 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.88 156.56 17.74 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.06 132.11 40.31 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 177.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.23 -48.69 2.36 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.897 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 37.8 mm -88.92 137.5 21.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.065 0.46 . . . . 0.0 110.328 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -123.08 159.77 52.65 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.517 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -59.38 -16.77 36.76 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.299 2.666 . . . . 0.0 112.633 -174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.732 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 31.1 m-85 -122.19 101.75 7.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.824 177.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.76 137.05 50.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.414 -173.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.1 OUTLIER -77.4 130.46 74.37 Favored Pre-proline 0 N--CA 1.45 -0.457 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 174.736 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -88.06 6.5 4.92 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.816 2.344 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -107.7 -55.33 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.749 0.309 . . . . 0.0 111.503 -177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.579 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.8 m -102.11 -6.19 23.59 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.086 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t0 68.4 34.04 3.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.169 -174.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.579 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 6.7 m95 -74.57 160.34 31.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.865 176.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.55 129.73 29.22 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 74.3 m-85 -130.09 140.87 50.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.368 -178.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.45 -12.18 52.53 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.361 0.601 . . . . 0.0 109.719 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -117.67 130.81 56.58 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 122.187 0.994 . . . . 0.0 110.72 176.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.732 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.6 p -60.59 -36.26 78.12 Favored 'General case' 0 N--CA 1.433 -1.321 0 CA-C-N 113.316 -1.765 . . . . 0.0 110.773 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -36.03 81.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.779 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -69.92 -40.61 75.46 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.66 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.654 HD22 ' HB3' ' A' ' 8' ' ' PHE . 35.6 tp -63.41 -45.12 92.48 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.27 87.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.973 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.34 -30.53 70.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.998 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -83.45 -28.17 28.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.279 0.562 . . . . 0.0 110.188 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -94.2 12.86 25.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.591 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -67.13 -40.14 86.73 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 172.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -0.67 24.33 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.87 176.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -109.03 33.51 4.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.89 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 ptp -104.73 -3.1 24.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.688 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.83 48.96 0.83 Allowed 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.309 0.576 . . . . 0.0 109.814 175.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.689 -179.167 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.79 90.65 6.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.927 0.394 . . . . 0.0 110.251 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.44 140.29 46.15 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.353 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.67 -52.33 4.77 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.32 -0.943 . . . . 0.0 111.336 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -87.49 126.58 41.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.874 0.369 . . . . 0.0 110.461 177.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.862 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 0.1 OUTLIER -101.7 160.38 26.68 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 175.778 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -57.75 -25.62 69.38 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.854 2.369 . . . . 0.0 111.847 -176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.825 ' HB3' HD22 ' A' ' 23' ' ' LEU . 6.4 m-85 -119.39 114.54 22.5 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.507 175.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.81 136.55 51.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.041 0.448 . . . . 0.0 111.434 -174.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -72.88 130.71 84.81 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.416 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -86.03 5.46 5.99 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.551 2.167 . . . . 0.0 112.424 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -109.9 -50.16 3.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.847 -176.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.559 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -106.98 -8.98 16.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.309 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 t70 69.17 30.16 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.223 -173.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.559 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.9 m95 -70.19 134.62 48.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.269 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.862 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -117.18 129.96 56.29 Favored 'General case' 0 C--N 1.31 -1.123 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.296 -174.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 75.1 m-85 -129.31 141.73 51.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.701 -176.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -8.93 55.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.377 0.608 . . . . 0.0 109.85 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -124.08 130.0 51.83 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.868 0.842 . . . . 0.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.81 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 3.4 p -63.35 -38.62 91.85 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 113.846 -1.525 . . . . 0.0 111.189 -178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -30.79 71.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.613 176.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -73.89 -38.73 64.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.459 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 8' ' ' PHE . 19.0 tp -64.82 -41.85 95.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.856 176.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.44 79.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.739 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.62 -16.79 64.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.058 177.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -99.74 -47.25 5.13 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.22 0.533 . . . . 0.0 110.387 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -76.12 -3.63 37.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.901 -175.102 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -65.73 -32.56 74.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -70.15 -19.4 63.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.61 175.316 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -90.36 -13.42 35.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.765 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.7 mtm -89.07 -30.88 18.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.942 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 59.09 54.59 4.85 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.655 179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.402 -0.808 . . . . 0.0 110.017 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.56 50.54 0.95 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.331 0.586 . . . . 0.0 110.241 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.61 121.72 25.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.761 -178.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.13 -49.47 1.33 Allowed Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.71 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 44.8 mm -89.0 126.7 42.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.831 0.348 . . . . 0.0 110.482 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.703 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -112.69 160.7 29.62 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.086 178.712 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -59.81 -22.26 67.35 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.328 2.685 . . . . 0.0 111.977 -177.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.755 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 25.0 m-85 -117.17 120.54 38.61 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.393 -0.822 . . . . 0.0 108.979 176.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.17 140.71 47.73 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.545 -170.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.8 t -81.92 130.02 62.3 Favored Pre-proline 0 N--CA 1.449 -0.502 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 172.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -88.37 4.86 5.47 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.505 2.136 . . . . 0.0 112.133 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -108.54 -50.62 3.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.603 -177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.795 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.4 m -102.99 -5.97 22.86 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.8 t0 67.28 31.83 6.32 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.646 0.591 . . . . 0.0 110.276 -175.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.795 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.1 m95 -74.22 154.72 38.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.456 176.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.703 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -132.45 132.45 42.76 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.968 0.413 . . . . 0.0 111.133 -177.593 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' HB3' ' A' ' 6' ' ' LYS . 77.2 m-85 -133.69 142.37 47.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.279 -177.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.15 -5.25 57.9 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.246 0.546 . . . . 0.0 110.083 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -125.33 129.46 50.0 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-O 121.934 0.873 . . . . 0.0 110.545 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.755 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 14.0 p -59.91 -39.15 84.43 Favored 'General case' 0 N--CA 1.429 -1.477 0 CA-C-N 113.716 -1.584 . . . . 0.0 110.859 178.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.438 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.88 -32.82 74.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.227 179.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 2.6 m170 -76.25 -38.04 56.81 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.93 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.646 HD22 ' HB3' ' A' ' 8' ' ' PHE . 35.5 tp -63.3 -44.26 95.51 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 175.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.58 83.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.422 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.608 HD23 ' HE3' ' A' ' 28' ' ' LYS . 8.7 mt -62.24 -38.45 89.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -73.34 -38.36 65.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.312 0.577 . . . . 0.0 110.143 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -86.39 8.07 23.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.919 -174.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.608 ' HE3' HD23 ' A' ' 25' ' ' LEU . 26.4 mttt -62.79 -41.65 99.36 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.138 0.494 . . . . 0.0 110.166 175.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -18.79 61.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.551 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -83.07 -45.5 13.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.406 0.622 . . . . 0.0 110.441 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 mtp -80.93 -5.57 57.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.159 -177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.64 53.74 2.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.026 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.778 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.986 -0.446 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -81.87 95.52 7.36 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.978 0.418 . . . . 0.0 110.886 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.6 136.09 36.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.034 -178.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.21 -45.33 3.07 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 31.4 mm -91.96 130.94 40.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.42 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 9.3 mttt -117.98 160.07 40.34 Favored Pre-proline 0 C--N 1.32 -0.703 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -57.27 -17.55 26.67 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 123.246 2.63 . . . . 0.0 112.249 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.807 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 25.6 m-85 -124.78 110.94 14.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.296 177.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.02 135.26 48.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -172.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -78.29 128.15 78.98 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.995 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -84.19 2.1 8.37 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.581 2.187 . . . . 0.0 112.55 178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -103.53 -43.61 5.34 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.553 -177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.581 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.8 m -113.82 -9.22 13.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.752 0.278 . . . . 0.0 111.752 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 t70 69.86 33.27 2.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.325 0.583 . . . . 0.0 109.896 -174.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.581 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 13.0 m95 -79.62 138.72 37.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.694 176.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.42 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -118.7 131.66 56.15 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.064 0.459 . . . . 0.0 111.054 -176.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 58.6 m-85 -131.84 138.73 48.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.427 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 m -82.55 -11.95 58.09 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.11 0.481 . . . . 0.0 110.382 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -119.97 133.33 55.59 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-O 122.103 0.954 . . . . 0.0 110.548 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.807 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 3.0 p -62.59 -36.5 82.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.795 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.531 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -64.98 -37.43 87.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.679 176.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.531 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 5.5 m170 -68.49 -40.74 80.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.742 0.306 . . . . 0.0 110.53 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.718 HD22 ' HB3' ' A' ' 8' ' ' PHE . 29.5 tp -64.45 -44.51 90.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.137 176.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.44 -33.91 77.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.54 -23.29 65.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.526 177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -92.64 -44.65 8.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.39 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -77.13 -6.93 54.75 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -174.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -62.84 -33.27 74.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.976 0.417 . . . . 0.0 110.609 179.31 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -4.88 51.15 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 13.7 m-70 -92.5 -13.88 29.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.567 0.699 . . . . 0.0 109.204 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.566 ' HB2' HG22 ' A' ' 33' ' ' VAL . 3.3 mtt -102.29 -36.6 8.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.782 174.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.0 48.32 5.26 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.443 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG22 ' HB2' ' A' ' 31' ' ' MET . 5.0 m . . . . . 0 C--O 1.245 0.851 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.875 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.82 151.46 19.58 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.15 120.86 24.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.018 0.437 . . . . 0.0 111.202 -175.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.92 -39.03 0.92 Allowed Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.7 mm -68.86 130.74 34.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.272 -0.464 . . . . 0.0 110.376 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.774 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 8.5 mptt -109.21 161.4 23.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.88 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -58.77 -26.9 81.95 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 123.027 2.485 . . . . 0.0 111.889 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.741 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 14.0 m-85 -116.14 103.21 10.31 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.388 -0.824 . . . . 0.0 108.994 175.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -128.61 127.57 42.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.763 -169.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -73.52 129.38 85.66 Favored Pre-proline 0 N--CA 1.441 -0.92 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.591 175.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -88.7 1.43 6.27 Favored 'Trans proline' 0 N--CA 1.454 -0.816 0 C-N-CA 122.604 2.203 . . . . 0.0 112.387 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.41 -56.84 2.21 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -175.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.696 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -100.15 -5.95 26.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.677 179.097 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 t70 66.58 39.82 3.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.503 -174.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.696 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 31.5 m95 -86.15 116.38 24.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.058 175.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.774 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -101.23 132.32 46.8 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.033 -176.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.0 m-85 -130.24 140.91 50.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.372 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -86.43 -7.56 58.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.225 0.536 . . . . 0.0 110.201 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -120.71 132.05 54.87 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 121.873 0.844 . . . . 0.0 110.753 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.741 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 5.1 p -59.66 -44.22 93.64 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 113.484 -1.689 . . . . 0.0 110.764 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' OD1' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -62.59 -32.59 73.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.068 178.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.471 ' HD2' ' OD1' ' A' ' 21' ' ' ASP . 3.0 m170 -73.57 -40.76 63.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.154 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 8' ' ' PHE . 14.3 tp -68.79 -40.13 79.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.265 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.41 74.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.096 0.474 . . . . 0.0 110.244 177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.418 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 2.8 mt -66.4 -28.15 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.336 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -89.4 -46.37 8.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.842 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.486 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.3 OUTLIER -80.48 14.27 2.11 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -66.78 -30.28 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.116 0.484 . . . . 0.0 109.724 174.297 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.1 13.67 22.36 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.426 176.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.51 24.9 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.879 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -98.64 -11.54 21.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.073 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.72 63.26 5.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.348 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.055 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.699 0 N-CA-C 111.894 -0.482 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.35 132.26 38.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.679 0.276 . . . . 0.0 110.395 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.97 143.18 36.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.886 0.374 . . . . 0.0 111.542 -175.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.47 78.55 0.27 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.434 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 1.1 mp -62.04 137.88 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.392 0.615 . . . . 0.0 111.569 -175.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 6' ' ' LYS . 10.7 mmtt -124.13 160.33 52.74 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.044 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.16 -18.85 24.94 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 123.13 2.553 . . . . 0.0 112.273 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.72 ' HB3' HD22 ' A' ' 23' ' ' LEU . 17.8 m-85 -128.85 119.6 24.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' OE1' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -134.99 136.39 42.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.802 0.334 . . . . 0.0 111.591 -173.501 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -77.86 131.62 69.9 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.306 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -87.89 -1.57 7.24 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.424 2.083 . . . . 0.0 112.53 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -99.3 -54.56 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.517 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.485 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.8 m -98.74 -12.77 20.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.625 0.25 . . . . 0.0 110.802 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.468 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 5.3 t70 71.32 32.83 2.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.021 -174.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.591 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 7.1 m95 -73.36 137.49 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.865 177.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.99 133.45 56.02 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.997 0.427 . . . . 0.0 111.082 -176.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 59.8 m-85 -134.32 137.45 44.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.299 -178.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.63 -9.0 58.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.29 0.567 . . . . 0.0 109.914 177.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.15 133.9 54.74 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 122.137 0.97 . . . . 0.0 111.304 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.71 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 4.0 p -60.21 -43.5 95.93 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 113.266 -1.788 . . . . 0.0 111.362 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -37.1 80.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.0 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.46 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 2.0 m170 -67.16 -42.91 83.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.333 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 8' ' ' PHE . 40.3 tp -63.9 -45.57 88.72 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.233 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.29 -35.56 80.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.26 179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -69.77 -25.3 63.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.089 0.471 . . . . 0.0 110.401 179.203 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -87.59 -44.55 11.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.439 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -77.25 6.46 6.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.03 -176.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 2.3 ptmt -66.19 -31.59 72.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.968 0.413 . . . . 0.0 110.187 175.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -91.4 17.44 8.49 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.68 178.035 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -119.11 11.72 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.398 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.6 mtt -86.78 -27.15 23.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.326 -178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.0 mt 60.3 43.77 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.133 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 C--O 1.248 0.989 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.589 176.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.689 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.67 133.05 45.77 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.96 110.97 23.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.804 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.18 -51.39 5.35 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.711 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 43.7 mm -103.62 110.77 30.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.982 0.42 . . . . 0.0 109.886 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.615 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -100.99 161.59 23.25 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.82 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -59.6 -13.21 20.38 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 123.197 2.598 . . . . 0.0 112.546 -177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.775 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 23.6 m-85 -128.8 113.86 15.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.186 176.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -127.91 140.06 52.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.893 0.377 . . . . 0.0 111.326 -173.283 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.8 OUTLIER -84.1 127.33 67.18 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.531 174.066 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -89.4 6.57 4.4 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.832 2.355 . . . . 0.0 112.457 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -106.75 -45.18 4.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.772 -177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.655 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -110.43 -7.62 14.76 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 121.408 -0.117 . . . . 0.0 111.189 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.22 38.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.042 -175.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.655 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 9.2 m95 -83.9 153.36 24.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.636 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.615 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -133.65 132.88 41.24 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.914 0.388 . . . . 0.0 110.999 -178.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 61.4 m-85 -134.6 138.98 45.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.461 -176.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.25 -7.44 59.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.213 0.53 . . . . 0.0 110.334 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -123.0 130.38 52.73 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.982 0.896 . . . . 0.0 110.458 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 8.0 p -62.07 -35.16 77.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 113.773 -1.558 . . . . 0.0 110.822 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.457 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.26 -32.33 73.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.066 176.512 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.457 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 3.0 m170 -75.13 -39.54 60.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.243 178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.711 HD22 ' HB3' ' A' ' 8' ' ' PHE . 41.3 tp -65.74 -45.87 81.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.094 176.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.22 -40.4 74.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.297 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -74.72 -37.57 62.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.439 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HE ' ' HB2' ' A' ' 30' ' ' HIS . 1.6 mtp180 -85.46 11.13 11.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.72 -175.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -28.8 67.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 109.963 176.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.55 18.47 9.9 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.288 175.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.493 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 9.0 m-70 -123.14 33.08 5.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.33 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.52 -44.3 17.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.038 -178.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 32' ' ' LEU . 4.8 mt -97.71 46.45 1.02 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.305 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.273 0 CA-C-O 118.23 -0.89 . . . . 0.0 109.932 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.125 -0.39 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.497 ' HB2' ' O ' ' A' ' 5' ' ' ILE . 0.3 OUTLIER -69.29 110.77 4.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.636 0.255 . . . . 0.0 110.485 -179.331 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -12.13 52.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.805 -173.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.05 -79.87 1.46 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.564 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' HB2' ' A' ' 2' ' ' SER . 29.4 mm -85.65 108.15 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 174.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.767 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 1.1 mptt -84.41 159.62 58.46 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.803 -175.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -60.69 -23.72 76.8 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.013 2.475 . . . . 0.0 112.093 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.707 ' HB3' HD22 ' A' ' 23' ' ' LEU . 22.4 m-85 -112.07 106.69 15.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.119 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.582 ' NE2' ' HA ' ' A' ' 14' ' ' ASP . 0.8 OUTLIER -123.8 139.51 53.9 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.233 -170.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 2.1 t -84.03 125.95 71.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.622 176.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -82.2 -0.39 10.22 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.538 2.159 . . . . 0.0 112.407 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -101.06 -55.85 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.711 0.291 . . . . 0.0 111.743 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.572 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.5 m -98.74 -9.21 24.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.084 -179.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.582 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER 70.42 29.61 3.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.21 -174.62 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.572 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.5 m95 -71.65 151.62 43.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.12 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.767 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -128.98 131.0 47.39 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.772 0.32 . . . . 0.0 111.117 -178.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 67.8 m-85 -132.51 134.78 45.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.354 -178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.93 -9.5 58.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.126 0.488 . . . . 0.0 109.888 179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.5 mtp85 -115.68 131.66 56.87 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-O 121.66 0.743 . . . . 0.0 110.392 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.626 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 20.4 p -60.42 -42.93 97.04 Favored 'General case' 0 N--CA 1.429 -1.498 0 CA-C-N 114.007 -1.452 . . . . 0.0 110.524 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -32.65 74.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.053 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -71.2 -39.78 71.57 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 121.081 -0.248 . . . . 0.0 110.762 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' A' ' 8' ' ' PHE . 16.4 tp -65.94 -43.32 88.34 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -35.35 78.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.604 177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.503 HD23 ' HE2' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -65.87 -25.98 67.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.132 0.492 . . . . 0.0 110.59 176.561 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 73.0 t60 -90.2 -38.49 13.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.913 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 30' ' ' HIS . 3.1 mtp180 -88.53 -3.86 58.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.294 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HE2' HD23 ' A' ' 25' ' ' LEU . 32.8 pttt -69.08 -32.96 72.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.771 0.319 . . . . 0.0 110.536 177.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -77.18 -18.13 58.03 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.14 0.495 . . . . 0.0 109.791 175.7 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 7.2 m-70 -77.3 -12.36 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.235 176.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.66 3.19 29.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.222 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mt 60.16 48.73 8.01 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.208 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.344 -0.836 . . . . 0.0 110.029 177.692 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -25.92 65.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.218 0.532 . . . . 0.0 111.382 -179.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.81 9.06 40.53 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.127 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.14 54.31 0.77 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.032 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.4 mm -80.02 135.15 26.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.505 ' H ' ' HB3' ' A' ' 16' ' ' SER . 0.6 OUTLIER -105.22 159.98 27.58 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.803 -177.366 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -59.58 -18.97 50.22 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 123.234 2.622 . . . . 0.0 112.841 -175.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.775 ' HB3' HD22 ' A' ' 23' ' ' LEU . 28.6 m-85 -119.66 100.09 7.05 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.735 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.35 141.52 45.97 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.707 -173.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.477 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -82.79 131.03 55.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.668 173.304 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -87.39 3.6 6.36 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.766 2.311 . . . . 0.0 112.421 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -105.7 -54.83 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.942 0.401 . . . . 0.0 111.86 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.592 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.9 m -100.65 -6.89 24.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.714 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.9 t0 68.3 31.71 5.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.793 -174.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.592 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 7.9 m95 -72.8 153.63 41.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.25 176.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.505 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 7.1 m -134.4 129.4 35.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.755 0.312 . . . . 0.0 110.466 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 75.0 m-85 -127.1 139.44 52.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.214 -177.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.55 -15.7 51.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.201 0.524 . . . . 0.0 110.083 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.99 132.48 56.69 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 121.809 0.814 . . . . 0.0 110.729 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 79.7 p -61.69 -37.65 84.92 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.609 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -61.29 -39.81 91.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.79 176.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.447 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 1.9 m170 -68.78 -41.14 79.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.637 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.775 HD22 ' HB3' ' A' ' 8' ' ' PHE . 20.3 tp -66.08 -41.46 90.65 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.285 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.04 -36.95 86.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.428 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.7 mt -62.55 -29.62 70.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.144 0.497 . . . . 0.0 110.414 175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.458 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 81.3 t60 -87.45 -38.3 16.22 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.362 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 27' ' ' ARG . 1.2 mtp180 -89.26 -5.57 57.5 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.149 -0.344 . . . . 0.0 111.816 -173.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -73.3 -27.73 61.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.037 0.446 . . . . 0.0 110.193 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -85.61 6.64 26.44 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.23 174.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.422 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 4.4 m-70 -101.97 3.28 38.8 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 177.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.4 mtt -81.46 -8.7 59.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.776 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.96 43.85 5.03 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.274 -178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.246 0.877 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.475 179.187 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.768 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.24 148.37 48.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.732 0.301 . . . . 0.0 110.745 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.425 ' HB ' HG12 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -83.71 170.16 14.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.581 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.79 52.55 4.44 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.52 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.425 HG12 ' HB ' ' A' ' 3' ' ' THR . 51.2 mm -70.46 121.99 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.17 0.509 . . . . 0.0 111.242 -176.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' H ' ' HB3' ' A' ' 16' ' ' SER . 28.4 mttt -101.95 159.97 27.84 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.124 175.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -55.51 -23.83 41.29 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 123.18 2.587 . . . . 0.0 112.335 -175.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.718 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 26.7 m-85 -118.11 100.96 7.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.747 178.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.86 143.39 48.93 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.029 -174.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.7 t -81.39 127.41 73.61 Favored Pre-proline 0 N--CA 1.447 -0.604 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.392 176.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.11 7.55 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.729 2.286 . . . . 0.0 112.18 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.16 -53.82 2.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.475 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.714 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.2 m -106.1 -2.6 22.46 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -176.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 t0 67.18 28.68 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.326 0.584 . . . . 0.0 110.503 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.714 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.0 m95 -72.57 144.22 47.98 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 174.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.479 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 1.4 m -129.85 126.92 39.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.033 0.444 . . . . 0.0 110.577 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 58.6 m-85 -126.76 140.39 52.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.282 -176.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.09 -10.47 57.79 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.284 0.564 . . . . 0.0 109.904 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -120.8 135.1 55.24 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 121.979 0.895 . . . . 0.0 111.073 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.718 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 2.6 p -61.08 -41.59 96.93 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 113.456 -1.702 . . . . 0.0 111.075 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.435 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.87 -36.24 83.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.716 177.629 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.435 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 3.6 m170 -67.99 -40.28 83.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.743 0.306 . . . . 0.0 110.65 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.609 HD22 ' HB3' ' A' ' 8' ' ' PHE . 34.2 tp -64.86 -44.74 88.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.166 176.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -33.87 76.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.918 178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -65.6 -29.91 70.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.294 177.484 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 69.0 t60 -86.62 -46.25 10.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.927 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.424 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -77.49 2.68 15.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.534 -175.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 2.6 ptpt -66.49 -30.13 70.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 110.24 176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 16.0 ptp180 -82.38 -2.93 54.53 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.805 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 19.3 m-70 -101.95 30.47 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.795 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.437 ' CE ' ' HA ' ' A' ' 28' ' ' LYS . 17.7 mtt -108.61 1.27 21.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.771 -175.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 59.16 33.85 22.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.864 -179.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.747 178.06 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.66 69.08 10.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.855 0.359 . . . . 0.0 110.374 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.732 ' HB ' HG12 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -78.8 136.91 37.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.026 -176.435 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.01 50.73 3.96 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.169 -0.538 . . . . 0.0 112.088 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.732 HG12 ' HB ' ' A' ' 3' ' ' THR . 22.2 mm -83.44 137.79 20.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.225 0.536 . . . . 0.0 110.728 -179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.787 ' H ' ' HB3' ' A' ' 16' ' ' SER . 0.1 OUTLIER -96.68 165.31 16.26 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.084 178.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -55.14 -22.76 33.2 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 123.19 2.593 . . . . 0.0 112.183 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.893 ' HB3' HD22 ' A' ' 23' ' ' LEU . 20.8 m-85 -118.99 127.74 53.74 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.39 138.11 41.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.244 0.545 . . . . 0.0 111.689 -171.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.0 OUTLIER -80.07 129.92 68.3 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.281 174.84 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -88.49 5.13 5.32 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.501 2.134 . . . . 0.0 112.632 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -109.29 -51.39 2.88 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -176.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.543 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.0 OUTLIER -102.7 -6.34 22.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.581 -0.155 . . . . 0.0 110.581 178.047 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 t70 69.23 35.13 2.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.435 -176.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.543 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 11.1 m95 -76.65 153.18 35.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.835 176.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.787 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 1.4 m -131.11 130.37 43.06 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.714 0.292 . . . . 0.0 110.741 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 84.2 m-85 -127.87 138.06 52.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.77 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -16.3 58.47 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.274 0.559 . . . . 0.0 110.388 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -120.36 130.48 54.42 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 121.895 0.855 . . . . 0.0 110.633 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.838 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 5.0 p -61.42 -35.87 78.75 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 113.699 -1.591 . . . . 0.0 110.525 178.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -38.81 92.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.053 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -71.71 -36.82 70.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.748 0.309 . . . . 0.0 110.564 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.893 HD22 ' HB3' ' A' ' 8' ' ' PHE . 17.6 tp -65.41 -42.54 92.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.142 176.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.01 74.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.652 177.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' LEU . 2.9 tp -68.73 -25.84 64.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.794 177.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -90.79 -32.65 16.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.49 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' A' ' 31' ' ' MET . 0.1 OUTLIER -90.22 19.4 5.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.508 -175.326 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.67 -46.42 79.2 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.85 5.8 5.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.082 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -113.69 -2.84 13.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.165 177.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.438 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 27.1 mtm -105.45 12.18 31.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.337 0.589 . . . . 0.0 110.634 -175.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.03 50.55 1.29 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.266 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.899 -178.584 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.02 -32.6 72.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.051 0.453 . . . . 0.0 111.421 -177.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.26 7.35 38.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.729 177.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.04 -46.94 5.46 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.189 175.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 30.2 mm -78.73 131.62 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 173.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' H ' ' HB3' ' A' ' 16' ' ' SER . 1.4 mttm -120.33 159.24 48.53 Favored Pre-proline 0 C--N 1.323 -0.581 0 C-N-CA 121.194 -0.202 . . . . 0.0 110.723 -175.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.81 -24.69 57.17 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.373 2.715 . . . . 0.0 112.723 -175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.737 ' HB3' HD22 ' A' ' 23' ' ' LEU . 44.0 m-85 -112.12 95.97 5.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.896 177.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.31 137.69 48.74 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.853 -176.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 1.9 t -79.51 124.25 83.96 Favored Pre-proline 0 C--N 1.327 -0.373 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 175.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.91 4.07 7.26 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.58 2.187 . . . . 0.0 112.356 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -105.72 -47.56 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.536 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.581 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.5 m -111.95 -4.53 14.51 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -177.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t0 69.13 35.98 2.56 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.588 0.709 . . . . 0.0 110.203 -177.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.581 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 10.4 m95 -83.7 151.76 25.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.634 175.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -131.63 127.97 38.14 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.914 0.387 . . . . 0.0 111.394 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 43.4 m-85 -129.11 141.11 51.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.204 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -16.63 47.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.966 0.412 . . . . 0.0 110.437 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -119.7 133.66 55.54 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 122.102 0.953 . . . . 0.0 111.258 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.647 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.1 p -57.19 -42.61 81.53 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.089 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.504 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -63.28 -30.53 71.65 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.538 179.494 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.504 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 9.7 m170 -72.95 -44.45 61.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.44 177.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 8' ' ' PHE . 19.8 tp -62.72 -43.49 98.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.164 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.25 -33.97 76.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.765 179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -70.46 -25.34 63.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.739 177.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.8 t60 -86.62 -41.29 14.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.552 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.471 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 5.4 mtp180 -84.67 4.89 30.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.489 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -67.01 -27.38 67.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.307 0.575 . . . . 0.0 109.936 175.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -92.33 19.65 6.88 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.267 176.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.471 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 7.6 m-70 -121.05 33.69 5.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.811 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mmt -86.28 -31.68 21.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.487 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 32' ' ' LEU . 1.0 OUTLIER -86.59 86.21 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.149 179.337 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.853 -0.594 . . . . 0.0 110.103 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 58.42 35.83 25.0 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.285 0.564 . . . . 0.0 111.211 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.96 -4.03 14.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.257 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.97 -47.87 4.59 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.855 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.3 mm -72.3 141.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 174.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -130.74 162.72 53.37 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.994 179.658 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -59.27 -14.17 23.2 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.489 2.793 . . . . 0.0 112.683 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.753 ' HB3' HD22 ' A' ' 23' ' ' LEU . 37.5 m-85 -123.13 108.63 13.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.385 177.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.02 139.55 53.83 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.611 -171.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 4.4 t -82.95 122.51 77.95 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.02 -0.24 10.59 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.404 2.069 . . . . 0.0 112.092 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -98.81 -54.36 3.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.663 -178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.557 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 3.2 m -102.58 -7.12 22.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.472 -178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.6 t0 71.02 28.71 3.1 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.708 0.63 . . . . 0.0 109.994 -175.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.557 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 6.2 m95 -72.81 153.3 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.811 177.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -134.52 128.19 32.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.031 0.444 . . . . 0.0 110.931 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 57.5 m-85 -127.73 140.26 52.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.238 -178.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.31 -13.6 52.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.323 0.583 . . . . 0.0 110.145 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 19' ' ' ARG . 6.0 mtp85 -115.84 131.85 56.82 Favored 'General case' 0 CA--C 1.501 -0.907 0 CA-C-O 121.871 0.843 . . . . 0.0 110.595 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.7 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 8.3 p -60.53 -39.4 87.71 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-N 113.661 -1.609 . . . . 0.0 110.808 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.496 ' OD2' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.23 -32.42 74.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.086 178.046 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.496 ' HD2' ' OD2' ' A' ' 21' ' ' ASP . 3.6 m170 -73.28 -39.62 65.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.878 0.37 . . . . 0.0 110.51 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 8' ' ' PHE . 28.2 tp -65.18 -43.79 90.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.106 176.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.66 78.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 25' ' ' LEU . 4.5 mt -65.24 -24.58 67.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.542 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 72.7 t60 -93.73 -38.63 11.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.873 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.478 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 1.4 mtp-105 -85.24 -8.13 58.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.233 -0.292 . . . . 0.0 111.744 -173.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -32.01 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.882 0.372 . . . . 0.0 110.673 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 7.5 ptp180 -74.63 -16.81 60.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.159 0.504 . . . . 0.0 110.57 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -87.85 -28.78 21.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.55 0.69 . . . . 0.0 109.583 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.8 mtt -77.57 -47.83 18.45 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.053 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 32' ' ' LEU . 14.6 tp -113.07 86.3 2.35 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.014 177.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.193 -0.908 . . . . 0.0 109.855 179.277 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.594 -0.602 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -101.88 118.7 37.47 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 175.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.18 8.64 44.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.205 0.526 . . . . 0.0 110.703 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.32 58.99 5.02 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 173.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.5 mm -60.79 135.53 25.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.937 -0.632 . . . . 0.0 111.111 -173.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.645 ' H ' ' HB3' ' A' ' 16' ' ' SER . 2.3 mttt -111.85 164.5 14.98 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.531 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -53.53 -28.49 45.54 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.34 2.693 . . . . 0.0 112.209 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.799 ' HB3' HD22 ' A' ' 23' ' ' LEU . 14.8 m-85 -109.59 128.55 55.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.968 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -145.73 141.57 28.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.16 0.505 . . . . 0.0 111.683 -172.405 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.7 OUTLIER -84.08 128.54 62.18 Favored Pre-proline 0 N--CA 1.449 -0.51 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.932 175.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -85.08 2.6 7.83 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.611 2.208 . . . . 0.0 112.551 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -103.46 -50.46 3.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.92 -176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.488 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 3.2 m -103.24 -10.4 18.78 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.387 -179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 t0 73.49 32.81 1.15 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.86 0.725 . . . . 0.0 109.849 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 17' ' ' PHE . 5.1 m95 -78.07 148.76 34.11 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.129 178.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.645 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -126.34 135.44 51.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.784 0.326 . . . . 0.0 110.802 178.389 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 64.0 m-85 -134.17 137.92 44.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.1 -13.6 52.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.25 0.548 . . . . 0.0 110.154 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -121.28 132.4 54.78 Favored 'General case' 0 CA--C 1.501 -0.928 0 CA-C-O 122.031 0.919 . . . . 0.0 110.707 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.777 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 4.8 p -61.58 -36.2 79.99 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 113.49 -1.686 . . . . 0.0 110.905 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -33.7 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.982 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.33 -39.98 62.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 177.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 8' ' ' PHE . 15.0 tp -65.37 -42.16 93.02 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.198 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.09 -27.25 67.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.703 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -20.29 61.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.237 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -97.28 -46.74 6.0 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.044 -178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 0.0 OUTLIER -79.9 -3.14 46.77 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -173.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -61.07 -35.25 76.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.807 0.336 . . . . 0.0 110.769 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -12.65 59.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.182 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -84.29 -35.57 23.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.39 0.614 . . . . 0.0 110.652 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.71 -1.95 52.05 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.618 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.3 mt 62.96 54.21 2.23 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.226 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.4 t . . . . . 0 C--O 1.248 1.018 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.296 -178.827 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.59 130.38 34.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.902 0.382 . . . . 0.0 110.367 177.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -79.33 142.42 36.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.063 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' HE3' ' A' ' 6' ' ' LYS . . . -158.12 76.06 0.2 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 49.1 mm -67.43 117.34 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.216 0.531 . . . . 0.0 111.105 -177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.713 ' HD2' ' HB2' ' A' ' 16' ' ' SER . 1.4 mttt -101.25 162.06 21.69 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.904 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -55.37 -23.83 40.05 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.119 2.546 . . . . 0.0 112.386 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.779 ' HB3' HD22 ' A' ' 23' ' ' LEU . 23.7 m-85 -116.97 114.92 24.5 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.615 176.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.88 135.24 49.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.029 0.443 . . . . 0.0 111.385 -173.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.484 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -77.12 128.17 81.66 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.942 175.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -87.19 8.57 4.28 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.769 2.312 . . . . 0.0 112.533 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -109.54 -51.7 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.761 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.6 m -107.39 -10.38 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.933 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.92 39.41 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.025 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.761 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 10.8 m95 -81.17 145.23 31.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.289 175.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.713 ' HB2' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -121.88 132.88 54.8 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.11 -177.153 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.6 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 68.9 m-85 -135.69 139.08 43.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -176.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.26 -11.12 50.6 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.153 0.501 . . . . 0.0 110.219 178.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -122.18 133.61 54.73 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.906 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.537 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 87.6 p -59.75 -39.09 83.65 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 114.281 -1.327 . . . . 0.0 111.017 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -36.86 85.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.62 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -69.04 -40.42 78.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.625 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 8' ' ' PHE . 27.0 tp -65.03 -44.63 88.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.24 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.37 75.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.224 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.8 -21.94 65.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.164 178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -94.84 -41.45 9.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.337 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.484 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 4.7 mtp180 -84.24 14.19 4.56 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.756 -176.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -33.51 73.34 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.96 21.7 3.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.126 174.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -126.07 23.94 7.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.744 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 47.0 mtt -82.13 -31.35 30.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.509 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.46 73.76 2.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.415 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.196 178.456 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.9 35.31 4.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.086 0.469 . . . . 0.0 110.57 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 t -80.22 179.72 7.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.293 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' HD2' ' A' ' 6' ' ' LYS . . . -119.58 67.44 0.39 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.767 -178.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.6 mm -63.26 126.54 21.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.364 0.602 . . . . 0.0 110.984 -178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.653 ' H ' ' HB3' ' A' ' 16' ' ' SER . 3.9 mptt -104.37 162.12 20.82 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.812 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -55.63 -25.34 49.85 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 123.214 2.609 . . . . 0.0 112.195 -177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.737 ' CE1' ' HB3' ' A' ' 20' ' ' SER . 14.5 m-85 -114.71 120.94 41.8 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.335 176.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 14' ' ' ASP . 0.2 OUTLIER -132.87 142.28 48.85 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.842 -171.217 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.519 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -87.96 122.94 69.79 Favored Pre-proline 0 N--CA 1.446 -0.638 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.567 174.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -84.7 11.05 3.49 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.349 2.033 . . . . 0.0 112.239 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -106.35 -52.68 2.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.088 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.752 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.1 m -107.18 -2.34 20.98 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -178.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.446 ' HA ' ' NE2' ' A' ' 9' ' ' GLN . 9.0 t0 69.53 31.21 3.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.345 0.593 . . . . 0.0 110.217 -175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.752 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 9.9 m95 -78.93 151.55 31.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.903 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.653 ' HB3' ' H ' ' A' ' 6' ' ' LYS . 1.3 m -133.49 134.69 43.8 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.85 0.357 . . . . 0.0 110.809 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 73.4 m-85 -134.16 139.81 46.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.331 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -11.6 57.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.118 0.485 . . . . 0.0 110.156 177.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.7 mtp85 -115.33 130.3 56.86 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 121.992 0.901 . . . . 0.0 110.931 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.737 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 7.0 p -60.93 -34.56 74.9 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.416 -1.72 . . . . 0.0 110.557 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -29.25 62.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.797 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -74.87 -40.42 60.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.565 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.663 HD22 ' HB3' ' A' ' 8' ' ' PHE . 29.2 tp -64.15 -44.23 92.76 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -38.0 79.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.68 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.42 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -67.73 -30.48 69.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 178.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -85.43 -29.57 24.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.957 0.408 . . . . 0.0 111.016 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 3.1 mtp180 -92.46 12.41 22.92 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 122.086 -0.384 . . . . 0.0 111.104 -177.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' ' HA ' ' A' ' 25' ' ' LEU . 80.7 mttt -64.07 -46.3 84.93 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.189 0.518 . . . . 0.0 110.117 175.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.774 ' HA ' HD12 ' A' ' 32' ' ' LEU . 4.3 ptm180 -68.94 -21.31 64.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.475 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 27' ' ' ARG . 12.9 m-70 -83.54 -13.07 55.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.346 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.4 mtt -93.75 1.31 56.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.136 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -77.16 69.19 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.872 -179.644 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.054 -179.735 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.81 155.24 17.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.765 0.317 . . . . 0.0 110.205 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.84 137.46 36.95 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.725 -179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.06 -49.44 6.36 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.38 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 42.8 mm -91.18 139.39 17.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 173.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -116.57 160.17 37.4 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.345 -178.337 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -61.19 -21.04 70.49 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.303 2.669 . . . . 0.0 112.734 -175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.739 ' HB3' HD22 ' A' ' 23' ' ' LEU . 45.6 m-85 -114.4 97.6 6.42 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.13 143.16 45.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.42 -174.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 27' ' ' ARG . 3.5 t -85.38 126.34 67.23 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.322 173.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -83.82 -5.07 10.66 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.582 2.188 . . . . 0.0 111.914 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -93.52 -50.52 5.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.422 -177.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.773 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.3 m -106.31 -10.99 16.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.709 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 t0 72.26 33.12 1.58 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.607 0.567 . . . . 0.0 110.584 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.773 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 21.4 m95 -77.75 154.6 31.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.53 175.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.87 130.38 43.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.955 0.407 . . . . 0.0 111.015 -179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 62.3 m-85 -130.54 139.91 50.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.952 -178.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -9.69 55.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.471 0.653 . . . . 0.0 109.905 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -121.19 134.07 55.2 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-O 122.209 1.004 . . . . 0.0 111.062 178.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.69 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 4.2 p -58.42 -44.2 89.01 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 112.907 -1.952 . . . . 0.0 111.024 177.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.71 -32.97 74.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.28 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -72.8 -41.64 64.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.525 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 8' ' ' PHE . 17.3 tp -62.96 -43.25 99.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.962 176.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.03 -35.3 79.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.495 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -68.18 -23.0 64.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 177.735 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' ARG . 67.8 t60 -92.23 -35.72 13.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.169 0.509 . . . . 0.0 110.83 178.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 10' ' ' CYS . 4.7 mtp180 -90.37 1.02 57.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.773 -173.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' A' ' 25' ' ' LEU . 20.5 pttp -71.27 -30.46 66.32 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.381 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 15.9 ptp180 -70.32 -25.27 63.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.384 0.611 . . . . 0.0 110.18 174.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -78.64 -13.61 59.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.538 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.8 mtt -90.49 0.7 57.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.324 174.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.0 mt 59.8 41.93 17.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.048 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.198 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.87 -0.492 . . . . 0.0 111.87 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.68 69.22 2.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.044 0.449 . . . . 0.0 110.633 -178.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.99 116.45 19.3 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 -177.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.82 -38.02 4.53 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.916 -179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.8 mm -76.83 110.49 12.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.051 0.453 . . . . 0.0 111.213 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 161.2 24.04 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.831 175.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -55.64 -30.01 73.19 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.957 2.438 . . . . 0.0 111.82 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.748 ' CE2' ' HB3' ' A' ' 20' ' ' SER . 13.3 m-85 -114.26 113.22 24.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.235 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.28 135.86 37.53 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.632 -173.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -79.91 126.28 80.26 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.63 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -83.79 -5.11 10.68 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.665 2.244 . . . . 0.0 111.512 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -91.83 -48.44 6.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.277 -177.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.681 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 2.2 m -113.17 -4.27 13.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 66.05 34.33 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.223 0.535 . . . . 0.0 110.484 -175.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.681 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 13.3 m95 -79.98 135.76 36.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.486 175.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.2 128.45 54.23 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.965 0.412 . . . . 0.0 111.514 -174.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 38.7 m-85 -131.32 138.03 49.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.606 -177.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.68 -7.65 58.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.146 0.498 . . . . 0.0 110.194 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -122.5 136.2 54.83 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-O 122.01 0.91 . . . . 0.0 110.595 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.748 ' HB3' ' CE2' ' A' ' 8' ' ' PHE . 2.5 p -61.2 -41.25 96.5 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-N 113.365 -1.743 . . . . 0.0 110.844 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.434 ' OD1' ' HD2' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -65.22 -29.13 69.9 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.081 177.56 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.445 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 5.5 m170 -71.54 -41.94 68.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.057 0.456 . . . . 0.0 110.503 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.656 HD22 ' HB3' ' A' ' 8' ' ' PHE . 33.0 tp -67.04 -45.09 78.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.179 178.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.0 -29.75 70.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.847 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -70.89 -18.78 62.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.515 177.079 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -99.56 -44.53 6.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 0.0 110.482 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -78.81 2.51 19.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.401 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 25' ' ' LEU . 0.6 OUTLIER -61.65 -39.34 90.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.784 176.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -78.79 -12.05 60.01 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 179.358 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -84.28 -23.51 30.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.411 0.625 . . . . 0.0 109.891 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -37.14 83.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.459 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.429 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -110.91 44.45 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.65 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.266 -0.874 . . . . 0.0 109.809 177.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.91 109.55 20.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.07 0.462 . . . . 0.0 110.983 -178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.8 0.64 30.62 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.391 0.615 . . . . 0.0 110.472 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.78 -68.07 1.52 Allowed Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.431 176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.0 mm -83.62 124.32 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.711 ' HD3' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -109.58 159.62 30.87 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.675 -177.351 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -57.93 -27.95 80.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.207 2.605 . . . . 0.0 112.308 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.752 ' HB3' HD22 ' A' ' 23' ' ' LEU . 21.4 m-85 -110.39 104.22 12.96 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.193 176.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.16 135.67 54.44 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.189 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 15' ' ' TRP . 0.5 OUTLIER -79.63 131.88 63.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.066 176.668 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -91.36 1.76 4.55 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 122.957 2.438 . . . . 0.0 112.373 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.44 -42.74 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.275 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.717 ' HB2' ' HD1' ' A' ' 15' ' ' TRP . 1.7 m -117.78 -4.14 11.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.37 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 t0 68.0 36.31 3.4 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.294 0.569 . . . . 0.0 110.165 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.717 ' HD1' ' HB2' ' A' ' 13' ' ' CYS . 8.9 m95 -80.51 149.41 30.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.011 177.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.711 ' HB2' ' HD3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -128.48 130.94 48.25 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.862 0.363 . . . . 0.0 111.282 -176.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 15' ' ' TRP . 48.5 m-85 -135.38 135.89 41.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.483 -177.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.08 -13.65 55.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.163 0.506 . . . . 0.0 110.31 178.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -118.26 134.65 54.84 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 121.908 0.861 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.664 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 10.5 p -62.75 -39.47 94.24 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 113.791 -1.55 . . . . 0.0 111.226 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -64.81 -34.66 78.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.784 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -67.56 -42.6 82.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.64 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 8' ' ' PHE . 28.3 tp -64.18 -43.0 96.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.19 177.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.26 -33.76 76.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.967 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 1.6 mp -70.13 -18.48 63.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.539 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -96.09 -43.28 7.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.476 0.655 . . . . 0.0 109.931 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HE ' ' HB3' ' A' ' 27' ' ' ARG . 2.1 mtp180 -82.08 9.89 7.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.579 -175.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -63.78 -30.36 71.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.222 0.534 . . . . 0.0 109.999 175.517 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.78 16.81 18.12 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.606 178.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -115.98 21.81 13.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.116 178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 29.7 mtt -109.66 17.92 20.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.209 -175.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.14 35.14 8.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.743 -176.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.915 176.594 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_