data_1omc_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 1omc _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 1' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.555 1.155 0 CA-C-O 120.994 0.426 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -97.39 135.74 38.85 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 122.784 1.278 . . . . 0.0 112.805 158.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.48 1.052 0 CA-C-N 111.958 -2.383 . . . . 0.0 112.857 171.556 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.763 0 N-CA-C 114.983 0.753 . . . . 0.0 114.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -71.76 142.15 49.73 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.4 m -60.63 104.58 0.35 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.324 2.25 . . . . 0.0 113.278 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 p -133.21 162.02 32.9 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.531 2.333 . . . . 0.0 112.086 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.471 0.62 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.685 172.352 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 116.729 2.122 . . . . 0.0 116.729 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 p -70.59 -22.62 62.54 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 44.59 45.71 7.98 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.546 1.938 . . . . 0.0 113.672 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -81.5 42.4 0.68 Allowed 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.5 m -117.66 160.42 21.32 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.972 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.89 -46.1 79.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.385 166.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 70.9 mtm180 -108.8 120.46 42.55 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.61 1.194 . . . . 0.0 109.244 163.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.0 p -36.7 149.63 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 112.465 -2.152 . . . . 0.0 116.073 -168.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 9.9 t -75.43 121.02 21.67 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 112.845 -1.98 . . . . 0.0 108.981 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 174.368 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.467 ' HB ' ' CZ ' ' A' ' 25' ' ' ARG . 81.7 p -104.14 -13.38 16.26 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -173.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 66.53 30.4 8.55 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 123.052 1.406 . . . . 0.0 112.315 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.467 ' CZ ' ' HB ' ' A' ' 23' ' ' THR . 23.3 mtm180 -136.68 135.29 38.08 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.56 -172.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.9 m -63.25 134.58 56.11 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.075 0.95 . . . . 0.0 113.429 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.487 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 39.4 m-85 . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 125.308 2.48 . . . . 0.0 111.35 172.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 1.104 ' HB3' ' HG ' ' A' ' 6' ' ' SER . 56.0 mmtt -90.6 140.37 29.82 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.484 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 N--CA 1.471 0.621 0 CA-C-N 113.667 -1.606 . . . . 0.0 113.068 -173.196 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.428 0 N-CA-C 115.229 0.851 . . . . 0.0 115.229 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 1.104 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 60.5 p -70.17 161.55 30.02 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.6 p -67.93 143.93 55.44 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 114.498 -1.228 . . . . 0.0 113.508 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.2 p -159.6 158.37 31.51 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.858 -1.519 . . . . 0.0 112.016 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 113.074 -1.876 . . . . 0.0 111.735 -177.019 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p . . . . . 0 N--CA 1.485 1.28 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -138.99 96.69 3.16 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 122.562 1.172 . . . . 0.0 109.754 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -78.94 56.72 2.0 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 113.359 -1.746 . . . . 0.0 110.501 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -74.13 37.64 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.772 1.629 . . . . 0.0 114.985 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.8 m -122.97 144.51 49.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 113.648 -1.614 . . . . 0.0 112.612 -170.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.95 -46.47 90.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 112.612 -2.085 . . . . 0.0 111.378 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 71.7 mtm180 -115.51 119.35 35.9 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 161.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.7 p -22.17 152.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 -169.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 t -65.78 142.9 57.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.577 -0.702 . . . . 0.0 110.904 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 158.621 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.7 p -88.63 -23.77 22.98 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm 67.79 23.73 8.44 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.206 2.202 . . . . 0.0 112.001 -168.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -123.13 146.53 47.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.054 1.342 . . . . 0.0 110.963 -177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.6 m -63.29 137.33 58.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.038 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 25.5 m-85 . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 122.954 1.359 . . . . 0.0 110.998 171.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.959 ' HB3' ' HG ' ' A' ' 6' ' ' SER . 8.4 mmmm -71.29 111.28 6.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.292 -1.776 . . . . 0.0 111.89 175.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.483 1.2 0 CA-C-N 112.441 -2.163 . . . . 0.0 111.94 176.728 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 CA-C-O 120.408 -0.107 . . . . 0.0 113.289 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.959 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 99.6 p -62.17 167.42 4.04 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.573 0.701 . . . . 0.0 112.058 174.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.0 t -90.86 148.62 22.37 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.991 -172.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.5 159.65 44.06 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.474 0.725 0 CA-C-N 111.42 -2.627 . . . . 0.0 111.896 -179.614 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -127.19 93.7 3.81 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -171.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -71.38 64.41 0.4 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 123.152 1.453 . . . . 0.0 107.642 171.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -78.11 35.36 0.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 113.881 -1.508 . . . . 0.0 114.783 -171.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.4 m -126.94 154.19 44.85 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.669 -162.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.9 m -66.69 -46.59 75.11 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 113.073 -1.876 . . . . 0.0 111.704 174.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 3.6 mmp_? -117.08 120.81 39.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.647 0.592 . . . . 0.0 112.192 153.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.7 t -8.69 144.8 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 130.426 3.49 . . . . 0.0 118.149 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.5 139.32 58.48 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.423 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.429 ' ND2' ' HB3' ' A' ' 22' ' ' TYR . 54.4 t30 . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 158.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.429 ' HB3' ' ND2' ' A' ' 20' ' ' ASN . 23.3 t80 . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.1 p -111.44 -0.68 16.18 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm 56.45 24.47 8.56 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.887 1.675 . . . . 0.0 114.008 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -117.01 144.79 44.19 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 122.244 1.021 . . . . 0.0 110.787 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.7 m -68.42 130.66 43.53 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 113.506 -1.679 . . . . 0.0 110.706 171.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 123.536 1.636 . . . . 0.0 113.107 177.018 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.28 116.19 5.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 113.595 -1.639 . . . . 0.0 113.185 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 CA--C 1.545 0.781 0 CA-C-N 111.519 -2.582 . . . . 0.0 112.114 171.095 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -52.43 128.8 26.79 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.357 1.463 . . . . 0.0 113.51 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 24' ' ' LYS . 37.2 m -57.25 133.47 55.11 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 176.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 p -145.57 162.27 37.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 128.594 2.758 . . . . 0.0 109.371 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 176.567 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.609 0.719 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.0 m -154.39 90.68 1.35 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 123.108 1.432 . . . . 0.0 110.47 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -90.92 37.95 0.94 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 113.646 -1.615 . . . . 0.0 113.951 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -87.57 39.73 0.89 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -175.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 76.8 m -117.53 154.18 31.93 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 113.657 -1.61 . . . . 0.0 110.72 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m -68.53 -39.54 81.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 73.1 mtp180 -119.44 107.4 13.29 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 153.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.0 m -1.77 151.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 118.775 2.88 . . . . 0.0 118.775 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -63.22 127.11 29.77 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.526 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 170.738 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.2 t80 . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -99.81 -3.36 32.81 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' SER . 58.8 mttp 54.12 39.46 30.69 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.74 1.216 . . . . 0.0 112.591 -175.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -135.63 135.08 39.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.319 1.048 . . . . 0.0 108.871 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.0 m -60.46 129.21 40.45 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.793 0.683 . . . . 0.0 111.903 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.561 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 19.8 m-85 . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 124.253 1.021 . . . . 0.0 110.524 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.734 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 92.6 mttt -82.82 115.07 21.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 122.617 1.199 . . . . 0.0 112.258 172.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.479 1.004 0 CA-C-N 113.155 -1.839 . . . . 0.0 111.731 171.009 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.703 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -55.99 152.76 9.76 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -172.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.5 p -77.01 127.94 33.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.676 1.19 . . . . 0.0 113.948 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.8 157.29 45.37 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.835 2.054 . . . . 0.0 111.505 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 169.758 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.2 p -108.99 88.45 2.73 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.255 1.026 . . . . 0.0 109.089 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -75.36 49.25 0.46 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 112.803 -1.999 . . . . 0.0 112.825 171.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.734 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 23.9 p-10 -96.0 44.5 1.08 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 113.42 -1.718 . . . . 0.0 112.34 -172.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.3 m -122.61 148.95 44.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 112.211 -2.268 . . . . 0.0 109.818 -173.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -61.27 -32.25 72.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.659 174.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -131.97 99.58 4.79 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.631 0.773 . . . . 0.0 110.684 157.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' A' ' 27' ' ' TYR . 33.8 p 21.75 139.85 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 118.897 2.925 . . . . 0.0 118.897 168.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.83 139.22 56.56 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 122.047 0.927 . . . . 0.0 110.115 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 . . . . . 0 C--N 1.317 -0.838 0 N-CA-C 103.925 -2.62 . . . . 0.0 103.925 162.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.8 p -84.31 -5.66 59.29 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.25 -1.341 . . . . 0.0 114.55 -174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm 56.44 25.77 10.03 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.433 1.493 . . . . 0.0 112.843 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -125.69 150.5 47.59 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -175.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.7 m -71.16 126.1 28.69 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.379 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.412 ' HD2' ' OG ' ' A' ' 18' ' ' SER . 4.5 m-85 . . . . . 0 C--O 1.212 -0.896 0 CA-C-O 123.211 1.482 . . . . 0.0 113.198 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -83.37 124.78 30.99 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.829 163.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.476 0.827 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.867 -179.351 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.836 0 CA-C-O 119.163 -0.798 . . . . 0.0 114.641 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -62.22 141.68 58.08 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 p -71.67 122.3 20.35 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.315 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 p -146.05 155.22 42.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.915 1.686 . . . . 0.0 111.472 -169.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 N--CA 1.477 0.894 0 CA-C-N 113.234 -1.803 . . . . 0.0 111.762 171.581 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.22 79.76 1.83 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.939 0.876 . . . . 0.0 109.791 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 19' ' ' CYS . 44.8 m-85 -75.88 39.54 0.18 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -89.42 52.26 2.31 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.876 1.322 . . . . 0.0 112.982 -176.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.8 m -105.74 158.32 16.81 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.562 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.33 -49.06 79.1 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.488 167.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.515 ' NH1' ' H ' ' A' ' 18' ' ' SER . 10.5 mmm180 -119.98 137.85 53.83 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.274 0.984 . . . . 0.0 111.916 162.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.515 ' H ' ' NH1' ' A' ' 17' ' ' ARG . 33.0 t -43.28 146.73 0.43 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 -160.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 13' ' ' TYR . 43.8 t -68.19 132.13 46.61 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.441 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 . . . . . 0 CA--C 1.536 0.42 0 CA-C-N 113.161 -1.836 . . . . 0.0 108.772 -178.6 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.4 p -108.26 -9.64 15.48 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm 61.36 23.35 13.6 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.569 1.948 . . . . 0.0 113.06 -169.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -117.18 150.97 37.85 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.498 1.119 . . . . 0.0 112.4 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 82.1 m -66.71 136.72 55.95 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.56 1.144 . . . . 0.0 111.808 172.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 123.158 1.456 . . . . 0.0 113.799 178.772 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -53.76 -9.7 0.24 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.482 1.149 0 C-N-CA 125.655 1.582 . . . . 0.0 112.844 -163.007 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.845 0 CA-C-O 121.824 0.68 . . . . 0.0 113.096 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -54.32 135.03 45.28 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -176.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -66.38 116.29 7.23 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 113.307 -1.769 . . . . 0.0 108.816 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -141.82 152.31 43.58 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 112.883 -1.962 . . . . 0.0 110.197 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.245 176.509 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.468 ' C ' ' H ' ' A' ' 14' ' ' ASN . 69.2 p -93.68 68.88 4.03 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 123.125 1.44 . . . . 0.0 109.496 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -67.94 25.93 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 111.469 -2.605 . . . . 0.0 114.525 170.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.468 ' H ' ' C ' ' A' ' 12' ' ' SER . 30.7 p-10 -91.6 43.66 1.15 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.106 -1.406 . . . . 0.0 112.622 -175.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 m -109.46 154.79 22.14 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.875 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.5 m -58.27 -39.85 80.31 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 71.1 mtt85 -119.5 119.68 34.56 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 161.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.4 158.26 0.61 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -162.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 25.2 t -72.52 116.24 12.75 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.331 1.053 . . . . 0.0 112.645 -173.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.808 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -97.73 -10.49 24.81 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HB3' ' HZ1' ' A' ' 24' ' ' LYS . 7.7 mtpm? 52.13 38.84 25.36 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.546 1.938 . . . . 0.0 114.226 -168.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -133.69 142.8 48.17 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.147 1.379 . . . . 0.0 112.615 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 97.5 m -64.69 126.67 28.65 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.074 1.35 . . . . 0.0 110.905 176.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.54 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 26.2 m-85 . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 122.459 1.124 . . . . 0.0 113.517 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.713 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 84.0 mttt -62.65 115.97 4.77 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 123.125 1.44 . . . . 0.0 114.388 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.475 0.79 0 CA-C-N 111.099 -2.773 . . . . 0.0 113.107 170.087 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.922 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -65.99 151.44 46.81 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 117.547 0.674 . . . . 0.0 111.791 175.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -82.44 138.95 34.25 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.23 -176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.0 p -148.47 157.77 43.69 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 112.915 -1.948 . . . . 0.0 111.118 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.4 ' HB3' ' HB2' ' A' ' 12' ' ' SER . 12.6 t . . . . . 0 C--O 1.246 0.873 0 CA-C-N 113.043 -1.889 . . . . 0.0 112.798 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 9' ' ' SER . 5.9 m -152.67 85.38 1.24 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.566 1.146 . . . . 0.0 107.926 173.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -82.01 51.84 1.84 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.994 -1.457 . . . . 0.0 109.623 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.713 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 30.0 p-10 -85.86 29.67 0.7 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 113.885 -1.507 . . . . 0.0 114.826 -171.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.0 m -110.26 154.33 23.59 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.865 -174.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -55.92 -50.69 70.01 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.044 -1.434 . . . . 0.0 112.902 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 1.7 mpt_? -111.0 41.64 1.78 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 174.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t 65.74 163.65 0.16 Allowed 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 125.897 1.679 . . . . 0.0 113.042 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 t -83.52 146.14 28.52 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.773 0.829 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 . . . . . 0 N--CA 1.473 0.713 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.995 168.741 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -112.29 -7.09 14.02 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm 55.71 25.86 8.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.125 1.77 . . . . 0.0 113.659 -169.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -131.9 148.34 52.53 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.094 0.949 . . . . 0.0 113.346 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.29 139.62 58.78 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 113.945 -1.479 . . . . 0.0 112.463 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 95.8 m-85 . . . . . 0 CA--C 1.55 0.951 0 CA-C-O 123.704 1.716 . . . . 0.0 110.679 170.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.607 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 87.9 mttt -75.79 129.6 37.3 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.909 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.477 0.914 0 CA-C-N 113.582 -1.644 . . . . 0.0 113.074 173.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.786 0 N-CA-C 115.719 1.048 . . . . 0.0 115.719 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.437 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 29.7 m -54.79 156.21 3.8 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -170.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 p -74.53 120.84 20.64 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.066 -1.424 . . . . 0.0 112.739 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.1 p -144.19 155.49 43.92 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 112.568 -2.105 . . . . 0.0 111.334 -171.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.475 ' HB3' ' OG ' ' A' ' 12' ' ' SER . 29.5 t . . . . . 0 N--CA 1.477 0.898 0 CA-C-N 113.382 -1.735 . . . . 0.0 110.589 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' A' ' 9' ' ' SER . 7.4 p -82.03 -28.91 32.25 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 41.51 40.39 1.32 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.607 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 16.8 p-10 -82.05 36.36 0.46 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -164.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.7 m -117.85 153.62 33.2 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 125.883 1.673 . . . . 0.0 112.802 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.82 -41.28 95.4 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 113.292 -1.776 . . . . 0.0 111.641 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 84.7 mtm180 -120.4 90.44 3.33 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 153.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 t 16.67 148.58 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 108.476 -3.965 . . . . 0.0 116.818 164.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -83.9 151.92 24.82 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.558 -173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 . . . . . 0 CA--C 1.541 0.632 0 CA-C-N 113.611 -1.631 . . . . 0.0 110.605 170.43 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.4 p -105.68 20.09 19.49 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 118.321 2.712 . . . . 0.0 118.321 -174.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt 51.17 34.61 11.52 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.045 1.738 . . . . 0.0 112.561 171.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -133.63 143.07 48.38 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.878 -1.51 . . . . 0.0 111.515 -173.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 65.1 m -64.79 137.48 57.81 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.302 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 20.8 m-85 . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 123.337 1.541 . . . . 0.0 110.171 171.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.554 1.117 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.884 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 70.6 mttt -66.81 104.05 1.25 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 113.903 -1.499 . . . . 0.0 113.017 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.482 1.135 0 CA-C-N 112.98 -1.918 . . . . 0.0 113.915 168.899 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.9 0 N-CA-C 114.682 0.633 . . . . 0.0 114.682 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m -62.78 137.16 58.2 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.8 m -55.69 133.23 50.6 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 122.884 1.326 . . . . 0.0 113.247 168.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -150.49 167.01 28.43 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 126.443 1.897 . . . . 0.0 110.435 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.478 0.938 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.043 177.862 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.9 p -118.21 94.33 4.45 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 123.643 1.687 . . . . 0.0 111.731 -170.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.82 46.06 0.75 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 112.216 -2.265 . . . . 0.0 111.869 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.884 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 14.1 p-10 -87.03 35.44 0.69 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 113.337 -1.756 . . . . 0.0 113.702 -171.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.7 m -116.13 156.46 26.42 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 112.496 -2.138 . . . . 0.0 111.856 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.3 m -62.9 -48.8 77.38 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 114.218 -1.356 . . . . 0.0 111.781 171.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -118.54 110.45 17.39 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 158.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 m -8.9 154.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.5 t -71.65 137.22 47.72 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.494 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.461 174.502 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 t80 . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.4 p -106.93 -7.74 16.91 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm 41.14 37.72 0.62 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.178 1.791 . . . . 0.0 114.939 -163.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -135.43 136.99 41.79 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 111.86 -2.427 . . . . 0.0 110.045 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.1 m -54.67 140.68 34.76 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.418 1.087 . . . . 0.0 111.833 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 123.509 1.623 . . . . 0.0 110.82 175.37 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.786 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 74.4 mttt -82.55 122.39 28.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.686 0.755 . . . . 0.0 111.616 169.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 m . . . . . 0 N--CA 1.474 0.756 0 CA-C-N 112.797 -2.002 . . . . 0.0 111.395 175.208 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' HD2' ' A' ' 25' ' ' ARG . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 114.051 0.38 . . . . 0.0 114.051 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -61.52 151.2 33.61 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -171.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.444 ' HA ' ' HD3' ' A' ' 25' ' ' ARG . 9.7 m -65.41 122.95 18.34 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 114.078 -1.419 . . . . 0.0 112.215 174.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.4 p -142.39 168.49 19.6 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 113.353 -1.749 . . . . 0.0 112.814 -170.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 N--CA 1.472 0.654 0 CA-C-N 112.125 -2.307 . . . . 0.0 112.168 -178.406 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -105.8 -25.3 12.24 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -175.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 43.1 m-85 48.82 44.01 21.61 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -175.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.786 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 12.8 p-10 -85.12 39.07 0.75 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -167.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.9 m -120.59 155.79 32.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.766 2.026 . . . . 0.0 107.918 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.16 -40.7 86.43 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 171.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 75.5 mtp180 -111.95 36.1 3.45 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 174.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.4 t 66.7 167.22 0.22 Allowed 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.434 ' H ' ' HD1' ' A' ' 13' ' ' TYR . 33.2 t -109.17 123.58 49.45 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.583 1.553 . . . . 0.0 112.331 -173.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.4 t30 . . . . . 0 N--CA 1.473 0.716 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.944 176.793 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.5 p -95.21 -17.67 21.53 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -172.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 62.66 30.01 16.89 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 125.273 1.429 . . . . 0.0 111.665 -167.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 67.5 mmt-85 -127.99 138.72 52.71 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.153 0.501 . . . . 0.0 112.182 -173.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.78 138.13 58.31 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.511 1.125 . . . . 0.0 112.231 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 81.5 m-85 . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 123.177 1.465 . . . . 0.0 111.159 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.519 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 88.9 mttt -67.43 116.47 8.21 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.315 172.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 p . . . . . 0 N--CA 1.478 0.942 0 CA-C-N 111.871 -2.422 . . . . 0.0 113.187 170.713 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.479 0 CA-C-O 120.228 -0.206 . . . . 0.0 112.913 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -56.64 139.4 50.27 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.6 m -56.37 116.6 3.17 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 113.323 -1.762 . . . . 0.0 114.436 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.8 p -127.94 -179.93 5.23 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 112.176 -2.284 . . . . 0.0 109.769 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.472 0.673 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.743 -179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.2 p -139.49 97.99 3.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 122.954 1.359 . . . . 0.0 110.807 -174.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.35 48.56 1.16 Allowed 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.288 175.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.519 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 22.2 p-10 -90.53 46.7 1.36 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 112.724 -2.035 . . . . 0.0 112.085 -168.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.4 m -122.81 151.7 41.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 112.902 -1.954 . . . . 0.0 110.74 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.8 m -62.12 -43.44 98.83 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.244 -1.344 . . . . 0.0 111.946 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 33.0 mtp180 -117.8 121.67 41.38 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 157.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 p -18.29 148.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 128.125 2.57 . . . . 0.0 116.929 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.97 140.03 55.04 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.504 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.5 t30 . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 161.613 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.1 p -106.63 5.78 29.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm 59.97 30.95 20.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.053 1.741 . . . . 0.0 114.353 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.4 mtm-85 -130.33 147.83 52.09 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.926 -173.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.7 m -67.83 136.99 54.97 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.731 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.596 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 21.2 m-85 . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 123.276 1.513 . . . . 0.0 111.758 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.43 133.29 45.81 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.362 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.479 1.015 0 C-N-CA 125.027 1.331 . . . . 0.0 112.642 177.876 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.706 0 CA-C-O 119.596 -0.558 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -53.77 148.26 10.37 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.865 0.833 . . . . 0.0 113.193 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.2 p -75.26 139.22 42.4 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 113.513 -1.676 . . . . 0.0 112.961 -173.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -155.64 157.76 37.23 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.4 -1.727 . . . . 0.0 112.407 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.478 0.971 0 CA-C-N 112.433 -2.167 . . . . 0.0 109.716 172.278 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 p -117.51 73.27 0.87 Allowed 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.847 1.308 . . . . 0.0 110.828 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.92 37.01 0.08 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -97.71 37.33 1.4 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.515 1.526 . . . . 0.0 114.783 -169.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.8 m -106.18 160.52 15.27 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 112.621 -2.081 . . . . 0.0 109.938 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -60.51 -43.97 96.52 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -109.12 26.01 11.12 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.656 172.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t 67.62 177.41 0.24 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.54 2.336 . . . . 0.0 113.659 -174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.0 t -102.2 135.37 43.92 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.838 1.655 . . . . 0.0 108.803 -171.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.0 t30 . . . . . 0 N--CA 1.478 0.975 0 CA-C-N 117.74 0.246 . . . . 0.0 111.358 175.685 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.5 p -111.22 -5.61 14.68 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm 50.37 27.85 2.96 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.731 1.613 . . . . 0.0 113.882 -166.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -135.31 144.34 46.67 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.226 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.9 m -57.96 135.63 56.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.194 -1.367 . . . . 0.0 110.529 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 . . . . . 0 C--O 1.241 0.657 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.069 177.753 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 1.016 ' HB3' ' HG ' ' A' ' 6' ' ' SER . 15.4 mttp -91.2 116.7 29.03 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.321 160.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 CA--C 1.549 0.92 0 CA-C-N 112.316 -2.22 . . . . 0.0 112.115 173.168 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.481 ' O ' ' HD2' ' A' ' 25' ' ' ARG . . . . . . . . 0 CA--C 1.543 1.785 0 N-CA-C 115.412 0.925 . . . . 0.0 115.412 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 1.016 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 92.7 p -77.58 151.15 34.59 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.669 0.788 . . . . 0.0 112.369 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -72.62 123.23 22.81 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -169.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.0 p -135.25 156.1 49.53 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 112.92 -1.945 . . . . 0.0 112.064 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.458 ' HG ' HG23 ' A' ' 11' ' ' THR . 28.9 t . . . . . 0 C--O 1.245 0.834 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.205 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.458 HG23 ' HG ' ' A' ' 9' ' ' SER . 8.8 t . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -89.35 -53.13 4.69 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 95.4 m-85 57.98 29.25 17.39 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 176.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.939 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 18.5 p-10 -84.14 42.35 0.87 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.312 1.845 . . . . 0.0 114.547 -174.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -120.69 148.7 43.59 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.087 -1.415 . . . . 0.0 110.905 -175.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.3 m -60.16 -42.97 96.06 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.592 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 68.8 mtm-85 -113.83 123.56 50.11 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 160.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.1 t -10.57 154.21 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.798 2.839 . . . . 0.0 118.3 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 13' ' ' TYR . 11.5 t -75.55 147.81 39.39 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 . . . . . 0 CA--C 1.545 0.753 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 161.864 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.6 t80 . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 t -92.6 2.07 56.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm 55.31 38.42 30.33 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.016 1.726 . . . . 0.0 113.291 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 5' ' ' GLY . 16.4 mmt180 -147.52 147.07 29.75 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.036 0.934 . . . . 0.0 111.828 -167.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.402 ' HB2' ' H ' ' A' ' 5' ' ' GLY . 66.4 m -69.69 139.2 53.42 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.264 176.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.592 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 32.6 m-85 . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 122.35 1.072 . . . . 0.0 111.092 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 115.373 1.619 . . . . 0.0 115.373 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -55.87 137.7 49.82 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.45 1.5 . . . . 0.0 112.846 173.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.471 0.597 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.243 176.883 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.339 0 CA-C-O 119.266 -0.741 . . . . 0.0 113.542 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -58.9 143.77 46.76 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -172.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.9 p -71.67 129.52 38.89 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 113.531 -1.668 . . . . 0.0 110.522 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -155.89 156.96 35.54 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.647 -170.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.314 -0.961 0 CA-C-N 111.151 -2.75 . . . . 0.0 111.379 177.485 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 p -121.45 77.89 1.38 Allowed 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -69.14 41.05 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.974 -1.079 . . . . 0.0 113.465 172.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -81.74 36.21 0.43 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.862 1.665 . . . . 0.0 114.538 -173.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.1 m -120.67 153.23 37.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.498 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.8 m -58.96 -46.57 87.73 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.449 -1.25 . . . . 0.0 112.976 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 73.6 mtp180 -106.24 31.75 4.92 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 174.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 t 67.65 169.59 0.26 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.514 2.326 . . . . 0.0 112.949 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 41.9 t -93.47 137.57 32.62 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.803 1.241 . . . . 0.0 110.205 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 61.7 t30 . . . . . 0 N--CA 1.473 0.68 0 C-N-CA 123.742 0.817 . . . . 0.0 110.083 171.302 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 t80 . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -99.78 1.9 43.59 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp 59.32 33.14 22.38 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.397 1.479 . . . . 0.0 114.811 -175.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.66 150.47 48.52 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.612 -169.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 80.9 m -65.66 132.65 49.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 176.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 63.0 m-85 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 123.595 1.664 . . . . 0.0 109.553 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.484 1.225 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.78 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 73.0 mttt -66.19 149.57 50.12 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 122.405 1.097 . . . . 0.0 111.82 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.477 0.9 0 CA-C-N 113.92 -1.491 . . . . 0.0 114.084 175.504 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.699 0 N-CA-C 113.821 0.289 . . . . 0.0 113.821 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -63.0 155.23 28.12 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 p -79.06 124.79 28.63 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 113.742 -1.572 . . . . 0.0 112.61 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 p -140.61 168.17 20.43 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 112.338 -2.21 . . . . 0.0 112.428 -170.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 CA--C 1.537 0.446 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.236 167.749 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.5 p . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 p -103.85 -28.34 11.67 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 49.75 42.31 23.47 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.78 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 13.4 p-10 -89.2 42.99 1.12 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 112.808 -1.996 . . . . 0.0 115.542 -161.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 1.0 OUTLIER -126.87 153.9 45.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 112.533 -2.121 . . . . 0.0 111.968 178.053 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.1 m -58.57 -36.6 74.2 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.363 -1.29 . . . . 0.0 114.064 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 10.9 mtp180 -110.65 30.18 7.05 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 167.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t 61.52 171.53 0.11 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.981 1.713 . . . . 0.0 113.983 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.1 t -108.23 122.77 47.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.757 1.623 . . . . 0.0 112.441 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 . . . . . 0 N--CA 1.482 1.159 0 C-N-CA 123.702 0.801 . . . . 0.0 112.165 178.726 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.8 p -118.99 -12.46 9.53 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.3 mttt 57.23 25.73 11.4 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -165.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 -122.45 146.74 47.09 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.613 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.3 m -73.59 136.88 44.0 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -174.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 68.5 m-85 . . . . . 0 N--CA 1.475 0.777 0 CA-C-N 112.827 -1.988 . . . . 0.0 110.111 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.0 p . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.924 ' HZ1' HD21 ' A' ' 14' ' ' ASN . 33.5 mmtm -67.15 131.88 46.69 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.79 0.805 . . . . 0.0 109.64 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.476 0.875 0 CA-C-N 113.985 -1.461 . . . . 0.0 112.245 175.537 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.93 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -73.58 148.87 42.54 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -176.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 p -70.75 114.63 9.02 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 113.762 -1.563 . . . . 0.0 114.59 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -132.01 165.16 24.59 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 111.955 -2.384 . . . . 0.0 113.61 -171.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 C--O 1.24 0.591 0 CA-C-N 113.749 -1.568 . . . . 0.0 110.655 170.686 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 p -107.74 -27.05 10.52 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 172.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 33.55 36.32 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -171.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.924 HD21 ' HZ1' ' A' ' 2' ' ' LYS . 13.5 p-10 -76.0 30.79 0.11 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.233 2.613 . . . . 0.0 117.121 -169.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -109.31 147.86 31.98 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 128.013 2.525 . . . . 0.0 111.389 -171.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.8 m -61.1 -38.71 87.26 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 112.855 -1.975 . . . . 0.0 111.746 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -128.98 120.47 26.12 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 158.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 m -15.29 154.25 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 128.63 2.772 . . . . 0.0 118.435 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.6 t -82.65 125.9 31.73 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.106 -173.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 t30 . . . . . 0 CA--C 1.54 0.58 0 O-C-N 124.939 1.399 . . . . 0.0 108.51 172.62 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.7 t80 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -109.01 7.12 25.69 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm 53.71 36.21 23.2 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.53 1.532 . . . . 0.0 114.28 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 mtt85 -135.24 145.4 47.59 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.064 -173.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.0 m -64.28 135.96 56.72 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.785 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 124.006 1.86 . . . . 0.0 111.895 178.139 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.578 ' HE3' ' HB3' ' A' ' 14' ' ' ASN . 10.4 mtmp? -80.46 133.4 35.85 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.522 176.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.471 0.604 0 CA-C-N 114.284 -1.325 . . . . 0.0 113.344 -176.722 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.805 0 N-CA-C 113.996 0.358 . . . . 0.0 113.996 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -61.39 137.35 58.24 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.999 0.904 . . . . 0.0 112.617 -177.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.2 m -55.75 146.51 21.14 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.086 -1.87 . . . . 0.0 113.165 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.549 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 20.6 p -165.9 145.83 6.41 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 113.378 -1.737 . . . . 0.0 110.061 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.577 ' HG ' HG23 ' A' ' 11' ' ' THR . 4.0 p . . . . . 0 CA--C 1.558 1.284 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.011 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.577 HG23 ' HG ' ' A' ' 9' ' ' SER . 12.1 t . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -102.57 67.75 1.02 Allowed 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 122.267 1.032 . . . . 0.0 109.28 -171.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -75.71 43.92 0.27 Allowed 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 113.864 -1.517 . . . . 0.0 112.256 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.578 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 27.9 t30 -97.9 35.14 1.76 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.117 -1.856 . . . . 0.0 109.624 -174.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 92.5 m -116.67 149.15 40.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 113.875 -1.512 . . . . 0.0 111.384 -169.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.3 m -55.88 -45.99 78.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.802 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 81.7 mtm180 -117.22 40.69 2.96 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 168.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t 62.39 162.29 0.09 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.357 1.463 . . . . 0.0 113.47 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.7 t -85.43 136.36 33.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.189 0.996 . . . . 0.0 109.822 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.472 ' OD1' ' HD2' ' A' ' 22' ' ' TYR . 65.3 t30 . . . . . 0 CA--C 1.537 0.464 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.677 163.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.472 ' HD2' ' OD1' ' A' ' 20' ' ' ASN . 59.5 m-85 . . . . . 0 CA--C 1.552 1.048 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -107.77 1.95 23.29 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm 56.86 41.77 27.46 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -137.77 151.61 48.33 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.763 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.3 m -67.3 134.64 51.95 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.5 0.72 . . . . 0.0 110.671 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.473 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 85.4 m-85 . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 122.899 1.333 . . . . 0.0 111.435 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.708 ' HZ1' HD21 ' A' ' 14' ' ' ASN . 11.8 mptt -68.12 134.28 50.3 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.053 0.93 . . . . 0.0 111.619 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 113.34 -1.755 . . . . 0.0 113.465 -175.236 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 1.97 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -68.98 158.99 33.6 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.0 m -72.84 129.92 39.26 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 122.915 1.34 . . . . 0.0 113.07 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 p -140.79 167.96 20.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 112.236 -2.256 . . . . 0.0 111.403 -171.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.58 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.91 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 p -143.91 -26.73 0.54 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 120.09 3.367 . . . . 0.0 120.09 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 55.8 44.64 25.76 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.88 1.672 . . . . 0.0 114.706 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.708 HD21 ' HZ1' ' A' ' 2' ' ' LYS . 12.3 p-10 -86.71 38.62 0.8 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 112.269 -2.241 . . . . 0.0 116.611 -166.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.5 m -107.52 159.15 16.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.161 -1.381 . . . . 0.0 108.394 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.8 m -57.55 -27.93 63.08 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -105.81 -79.23 0.56 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 160.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 m -160.23 157.69 28.65 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.632 1.173 . . . . 0.0 111.654 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.3 t -89.81 136.7 32.89 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.01 0.819 . . . . 0.0 109.106 175.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.4 t30 . . . . . 0 N--CA 1.48 1.061 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.094 175.782 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -122.48 -2.46 8.95 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.9 mttp 46.29 37.79 4.47 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 126.425 1.89 . . . . 0.0 113.899 -168.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -129.23 146.37 51.15 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 112.236 -2.257 . . . . 0.0 111.505 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.83 132.18 47.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.523 -1.217 . . . . 0.0 114.083 -174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 CA--C 1.54 0.565 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.122 160.257 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.901 ' HZ1' HD21 ' A' ' 14' ' ' ASN . 61.0 mttp -68.6 124.47 23.69 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 123.046 1.403 . . . . 0.0 110.505 177.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-N 111.895 -2.411 . . . . 0.0 111.321 -175.432 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.499 0 N-CA-C 113.387 0.115 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -59.75 146.05 42.91 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 122.166 0.984 . . . . 0.0 113.315 -172.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 p -68.99 124.42 23.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 112.921 -1.945 . . . . 0.0 112.229 170.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 p -115.1 -173.69 2.36 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.761 2.024 . . . . 0.0 111.532 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.546 0.808 0 CA-C-N 112.021 -2.354 . . . . 0.0 105.367 161.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 m -84.64 -18.07 36.58 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 42.31 43.6 3.04 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.966 1.706 . . . . 0.0 114.77 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.901 HD21 ' HZ1' ' A' ' 2' ' ' LYS . 6.5 p-10 -75.63 31.62 0.11 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 117.953 2.575 . . . . 0.0 117.953 -171.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -121.59 148.8 44.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.767 1.627 . . . . 0.0 113.375 -174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.7 m -55.23 -62.49 1.63 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.238 -1.346 . . . . 0.0 113.566 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 79.0 mtp180 -95.64 34.64 1.46 Allowed 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.5 0.667 . . . . 0.0 112.643 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t 63.54 162.94 0.11 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.861 1.664 . . . . 0.0 113.105 -176.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -107.55 142.15 37.9 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.129 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 . . . . . 0 CA--C 1.553 1.08 0 CA-C-N 113.317 -1.765 . . . . 0.0 110.367 174.103 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.3 p -102.03 -13.88 17.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -168.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 64.45 21.44 12.47 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.765 1.626 . . . . 0.0 113.271 -170.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -116.75 136.75 52.71 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 122.307 1.051 . . . . 0.0 112.793 -172.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.0 m -61.43 137.19 58.23 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.136 174.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.543 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 47.6 m-85 . . . . . 0 N--CA 1.486 1.338 0 C-N-CA 125.104 1.362 . . . . 0.0 111.46 176.561 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.725 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 64.8 mttt -66.28 143.63 57.09 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 122.778 1.275 . . . . 0.0 109.412 177.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 CA--C 1.538 0.486 0 CA-C-N 113.887 -1.506 . . . . 0.0 111.524 172.101 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.673 0 CA-C-O 119.779 -0.456 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -59.35 144.01 47.84 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.1 m -66.42 126.5 29.03 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.712 -1.586 . . . . 0.0 112.393 175.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.6 p -147.02 147.27 30.49 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 113.173 -1.83 . . . . 0.0 112.023 -173.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.476 0.83 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.936 173.512 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -119.53 71.84 0.89 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.934 1.35 . . . . 0.0 110.088 -160.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -75.72 35.75 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 113.574 -1.648 . . . . 0.0 113.487 -178.281 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.725 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -81.68 47.69 1.1 Allowed 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 124.189 1.947 . . . . 0.0 115.073 -172.175 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 6.6 m -124.62 152.08 44.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 112.823 -1.989 . . . . 0.0 110.88 177.475 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -55.51 -36.65 66.92 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.409 -1.723 . . . . 0.0 113.1 -178.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 71.0 mmt-85 -117.86 37.72 3.87 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 168.304 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t 64.34 167.39 0.16 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.861 1.664 . . . . 0.0 113.726 173.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 t -92.01 149.26 21.62 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 122.812 1.291 . . . . 0.0 109.756 177.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 . . . . . 0 CA--C 1.541 0.613 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.991 166.99 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 p -66.84 -20.23 65.89 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm 60.68 22.77 12.64 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.777 2.031 . . . . 0.0 113.061 -169.32 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -127.77 157.93 39.04 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.321 1.449 . . . . 0.0 110.921 -177.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.7 m -83.5 140.88 32.03 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 73.4 m-85 . . . . . 0 N--CA 1.476 0.844 0 CA-C-N 114.979 -1.01 . . . . 0.0 113.297 -173.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.555 1.155 0 CA-C-O 120.994 0.426 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -97.39 135.74 38.85 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 122.784 1.278 . . . . 0.0 112.805 158.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -54.74 136.62 45.92 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 111.958 -2.383 . . . . 0.0 112.857 171.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.23 -24.44 7.1 Favored Glycine 0 CA--C 1.542 1.763 0 C-N-CA 124.989 1.28 . . . . 0.0 114.983 -171.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -71.76 142.15 49.73 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.4 m -60.63 104.58 0.35 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.324 2.25 . . . . 0.0 113.278 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 p -133.21 162.02 32.9 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.531 2.333 . . . . 0.0 112.086 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -87.91 126.52 35.09 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.685 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 p -64.61 -36.48 84.38 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 116.729 2.122 . . . . 0.0 116.729 -172.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 p -70.59 -22.62 62.54 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' HE1' ' HD1' ' A' ' 21' ' ' HYP . 72.6 m-85 44.59 45.71 7.98 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.546 1.938 . . . . 0.0 113.672 -175.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -81.5 42.4 0.68 Allowed 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.5 m -117.66 160.42 21.32 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.972 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.89 -46.1 79.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.385 166.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 70.9 mtm180 -108.8 120.46 42.55 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.61 1.194 . . . . 0.0 109.244 163.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.0 p -36.7 149.63 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 112.465 -2.152 . . . . 0.0 116.073 -168.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 9.9 t -75.43 121.02 21.67 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 112.845 -1.98 . . . . 0.0 108.981 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.492 ' HA ' HD22 ' A' ' 21' ' ' HYP . 60.5 t-20 -63.27 116.23 5.28 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 174.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.492 HD22 ' HA ' ' A' ' 20' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -71.39 -37.25 71.58 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.467 ' HB ' ' CZ ' ' A' ' 25' ' ' ARG . 81.7 p -104.14 -13.38 16.26 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -173.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 66.53 30.4 8.55 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 123.052 1.406 . . . . 0.0 112.315 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.467 ' CZ ' ' HB ' ' A' ' 23' ' ' THR . 23.3 mtm180 -136.68 135.29 38.08 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.56 -172.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.9 m -63.25 134.58 56.11 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.075 0.95 . . . . 0.0 113.429 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.487 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 39.4 m-85 -65.5 139.36 58.48 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 125.308 2.48 . . . . 0.0 111.35 172.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.907 0 O-C-N 119.265 -2.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 1.104 ' HB3' ' HG ' ' A' ' 6' ' ' SER . 56.0 mmtt -90.6 140.37 29.82 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.484 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -55.97 150.95 12.59 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 113.667 -1.606 . . . . 0.0 113.068 -173.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.18 -29.94 11.09 Favored Glycine 0 N--CA 1.477 1.428 0 CA-C-N 114.403 -1.272 . . . . 0.0 115.229 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 1.104 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 60.5 p -70.17 161.55 30.02 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.6 p -67.93 143.93 55.44 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 114.498 -1.228 . . . . 0.0 113.508 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.2 p -159.6 158.37 31.51 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.858 -1.519 . . . . 0.0 112.016 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -103.6 149.05 25.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 113.074 -1.876 . . . . 0.0 111.735 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.712 ' HD1' ' HZ3' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p -99.24 -8.05 25.57 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -138.99 96.69 3.16 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 122.562 1.172 . . . . 0.0 109.754 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -78.94 56.72 2.0 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 113.359 -1.746 . . . . 0.0 110.501 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -74.13 37.64 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.772 1.629 . . . . 0.0 114.985 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.8 m -122.97 144.51 49.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 113.648 -1.614 . . . . 0.0 112.612 -170.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.95 -46.47 90.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 112.612 -2.085 . . . . 0.0 111.378 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.595 ' CZ ' ' HN1' ' A' ' 28' ' ' NH2 . 71.7 mtm180 -115.51 119.35 35.9 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 161.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.7 p -22.17 152.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 -169.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 t -65.78 142.9 57.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.577 -0.702 . . . . 0.0 110.904 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -96.11 107.55 19.87 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 158.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.424 ' OD1' ' HA ' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -78.79 -30.54 45.57 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -169.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.7 p -88.63 -23.77 22.98 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.712 ' HZ3' ' HD1' ' A' ' 10' ' ' HYP . 35.5 mmtm 67.79 23.73 8.44 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.206 2.202 . . . . 0.0 112.001 -168.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -123.13 146.53 47.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.054 1.342 . . . . 0.0 110.963 -177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.6 m -63.29 137.33 58.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.038 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 25.5 m-85 -66.82 171.79 4.97 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.954 1.359 . . . . 0.0 110.998 171.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . 0.595 ' HN1' ' CZ ' ' A' ' 17' ' ' ARG . . . . . . . . 0 C--N 1.309 -1.166 0 O-C-N 120.475 -1.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.959 ' HB3' ' HG ' ' A' ' 6' ' ' SER . 8.4 mmmm -71.29 111.28 6.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.292 -1.776 . . . . 0.0 111.89 175.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.415 ' HA ' HD22 ' A' ' 4' ' ' HYP . 23.3 t -43.03 135.93 2.96 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 112.441 -2.163 . . . . 0.0 111.94 176.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.599 ' HD1' ' H ' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.85 -31.44 8.68 Favored Glycine 0 N--CA 1.481 1.697 0 CA-C-N 114.761 -1.109 . . . . 0.0 113.289 -172.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.959 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 99.6 p -62.17 167.42 4.04 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.573 0.701 . . . . 0.0 112.058 174.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.0 t -90.86 148.62 22.37 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.991 -172.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.5 159.65 44.06 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -94.96 147.53 23.29 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 111.42 -2.627 . . . . 0.0 111.896 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.871 ' HD1' ' HZ3' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 p -79.69 -25.79 41.13 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -127.19 93.7 3.81 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -171.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.425 ' HH ' ' HD1' ' A' ' 21' ' ' HYP . 60.5 m-85 -71.38 64.41 0.4 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 123.152 1.453 . . . . 0.0 107.642 171.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -78.11 35.36 0.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 113.881 -1.508 . . . . 0.0 114.783 -171.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.4 m -126.94 154.19 44.85 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.669 -162.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.467 ' HB2' HD22 ' A' ' 4' ' ' HYP . 67.9 m -66.69 -46.59 75.11 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 113.073 -1.876 . . . . 0.0 111.704 174.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.599 ' H ' ' HD1' ' A' ' 4' ' ' HYP . 3.6 mmp_? -117.08 120.81 39.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.647 0.592 . . . . 0.0 112.192 153.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.7 t -8.69 144.8 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 130.426 3.49 . . . . 0.0 118.149 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.5 139.32 58.48 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.423 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.429 ' ND2' ' HB3' ' A' ' 22' ' ' TYR . 54.4 t30 -94.96 105.77 17.71 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 158.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.425 ' HD1' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.429 ' HB3' ' ND2' ' A' ' 20' ' ' ASN . 23.3 t80 -50.69 -44.84 57.96 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 113.202 -1.817 . . . . 0.0 114.185 -177.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.1 p -111.44 -0.68 16.18 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.871 ' HZ3' ' HD1' ' A' ' 10' ' ' HYP . 32.6 mmtm 56.45 24.47 8.56 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.887 1.675 . . . . 0.0 114.008 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -117.01 144.79 44.19 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 122.244 1.021 . . . . 0.0 110.787 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.7 m -68.42 130.66 43.53 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 113.506 -1.679 . . . . 0.0 110.706 171.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -66.51 155.06 38.71 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 123.536 1.636 . . . . 0.0 113.107 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 O-C-N 120.176 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.28 116.19 5.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 113.595 -1.639 . . . . 0.0 113.185 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 p -46.46 129.63 10.78 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 111.519 -2.582 . . . . 0.0 112.114 171.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.424 ' HB3' ' O ' ' A' ' 27' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.66 -54.26 0.69 Allowed Glycine 0 N--CA 1.479 1.557 0 C-N-CA 124.801 1.191 . . . . 0.0 112.057 -166.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -52.43 128.8 26.79 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.357 1.463 . . . . 0.0 113.51 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 24' ' ' LYS . 37.2 m -57.25 133.47 55.11 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 176.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 p -145.57 162.27 37.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 128.594 2.758 . . . . 0.0 109.371 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 t -95.97 155.91 16.55 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.405 HD22 ' HG2' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -94.91 29.2 2.45 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.607 0.763 . . . . 0.0 111.198 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.0 m -154.39 90.68 1.35 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 123.108 1.432 . . . . 0.0 110.47 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -90.92 37.95 0.94 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 113.646 -1.615 . . . . 0.0 113.951 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -87.57 39.73 0.89 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -175.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 76.8 m -117.53 154.18 31.93 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 113.657 -1.61 . . . . 0.0 110.72 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m -68.53 -39.54 81.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.561 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 73.1 mtp180 -119.44 107.4 13.29 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 153.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.0 m -1.77 151.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 118.775 2.88 . . . . 0.0 118.775 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -63.22 127.11 29.77 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.526 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -80.28 94.05 6.02 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -54.71 -50.22 68.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.43 1.092 . . . . 0.0 113.072 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -99.81 -3.36 32.81 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' SER . 58.8 mttp 54.12 39.46 30.69 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.74 1.216 . . . . 0.0 112.591 -175.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -135.63 135.08 39.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.319 1.048 . . . . 0.0 108.871 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.0 m -60.46 129.21 40.45 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.793 0.683 . . . . 0.0 111.903 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.561 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 19.8 m-85 -60.23 146.97 41.74 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.253 1.021 . . . . 0.0 110.524 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.826 0 O-C-N 120.475 -1.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.734 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 92.6 mttt -82.82 115.07 21.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 122.617 1.199 . . . . 0.0 112.258 172.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -46.72 128.21 10.44 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 113.155 -1.839 . . . . 0.0 111.731 171.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.631 HD22 ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.22 -42.78 1.87 Allowed Glycine 0 CA--C 1.541 1.703 0 CA-C-N 113.271 -1.786 . . . . 0.0 112.018 -167.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -55.99 152.76 9.76 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -172.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.5 p -77.01 127.94 33.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.676 1.19 . . . . 0.0 113.948 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.8 157.29 45.37 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.835 2.054 . . . . 0.0 111.505 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 t -82.0 147.86 28.97 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.527 ' HD1' ' HZ3' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t -92.89 -5.88 49.89 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.2 p -108.99 88.45 2.73 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.255 1.026 . . . . 0.0 109.089 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -75.36 49.25 0.46 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 112.803 -1.999 . . . . 0.0 112.825 171.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.734 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 23.9 p-10 -96.0 44.5 1.08 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 113.42 -1.718 . . . . 0.0 112.34 -172.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.3 m -122.61 148.95 44.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 112.211 -2.268 . . . . 0.0 109.818 -173.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.631 ' HB2' HD22 ' A' ' 4' ' ' HYP . 67.8 m -61.27 -32.25 72.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.659 174.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.506 ' H ' ' HD1' ' A' ' 4' ' ' HYP . 61.7 mtp180 -131.97 99.58 4.79 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.631 0.773 . . . . 0.0 110.684 157.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.412 ' OG ' ' HD2' ' A' ' 27' ' ' TYR . 33.8 p 21.75 139.85 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 118.897 2.925 . . . . 0.0 118.897 168.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.83 139.22 56.56 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 122.047 0.927 . . . . 0.0 110.115 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.461 ' HA ' HD22 ' A' ' 21' ' ' HYP . 42.1 t-20 -96.17 107.86 20.24 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 103.925 -2.62 . . . . 0.0 103.925 162.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.461 HD22 ' HA ' ' A' ' 20' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -60.28 -55.12 37.53 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.114 -1.403 . . . . 0.0 110.048 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.8 p -84.31 -5.66 59.29 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.25 -1.341 . . . . 0.0 114.55 -174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' HZ3' ' HD1' ' A' ' 10' ' ' HYP . 36.6 mmtm 56.44 25.77 10.03 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.433 1.493 . . . . 0.0 112.843 -177.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -125.69 150.5 47.59 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -175.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.7 m -71.16 126.1 28.69 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.379 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.412 ' HD2' ' OG ' ' A' ' 18' ' ' SER . 4.5 m-85 -56.36 148.57 18.55 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-O 123.211 1.482 . . . . 0.0 113.198 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.107 0 O-C-N 120.683 -1.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -83.37 124.78 30.99 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.829 163.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 p -57.16 139.72 51.67 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.867 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.459 ' HB3' ' O ' ' A' ' 27' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.89 -28.55 9.26 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-N 113.189 -1.823 . . . . 0.0 114.641 -169.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -62.22 141.68 58.08 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 p -71.67 122.3 20.35 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.315 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 p -146.05 155.22 42.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.915 1.686 . . . . 0.0 111.472 -169.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 t -82.2 147.05 29.2 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 113.234 -1.803 . . . . 0.0 111.762 171.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.622 ' HD1' ' HZ3' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.3 p -66.84 -17.75 65.04 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.22 79.76 1.83 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.939 0.876 . . . . 0.0 109.791 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.814 ' HH ' ' HD1' ' A' ' 21' ' ' HYP . 44.8 m-85 -75.88 39.54 0.18 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -89.42 52.26 2.31 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.876 1.322 . . . . 0.0 112.982 -176.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.8 m -105.74 158.32 16.81 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.562 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.33 -49.06 79.1 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.488 167.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.515 ' NH1' ' H ' ' A' ' 18' ' ' SER . 10.5 mmm180 -119.98 137.85 53.83 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.274 0.984 . . . . 0.0 111.916 162.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.515 ' H ' ' NH1' ' A' ' 17' ' ' ARG . 33.0 t -43.28 146.73 0.43 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 -160.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 13' ' ' TYR . 43.8 t -68.19 132.13 46.61 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.441 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -96.53 111.05 23.32 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 113.161 -1.836 . . . . 0.0 108.772 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.814 ' HD1' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -62.05 -36.61 82.14 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -175.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.4 p -108.26 -9.64 15.48 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.622 ' HZ3' ' HD1' ' A' ' 10' ' ' HYP . 26.9 mmtm 61.36 23.35 13.6 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.569 1.948 . . . . 0.0 113.06 -169.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -117.18 150.97 37.85 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.498 1.119 . . . . 0.0 112.4 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 82.1 m -66.71 136.72 55.95 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.56 1.144 . . . . 0.0 111.808 172.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 4' ' ' HYP . 2.3 m-30 -56.16 147.79 19.66 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 123.158 1.456 . . . . 0.0 113.799 178.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.183 0 O-C-N 120.44 -1.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -53.76 -9.7 0.24 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m 63.83 140.68 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 125.655 1.582 . . . . 0.0 112.844 -163.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.519 ' HD1' ' H ' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 95.17 -30.06 8.63 Favored Glycine 0 CA--C 1.544 1.845 0 C-N-CA 125.705 1.621 . . . . 0.0 113.096 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -54.32 135.03 45.28 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -176.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -66.38 116.29 7.23 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 113.307 -1.769 . . . . 0.0 108.816 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -141.82 152.31 43.58 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 112.883 -1.962 . . . . 0.0 110.197 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 p -76.9 147.43 37.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.245 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.502 HD22 ' HG2' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -30.76 70.81 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.468 ' C ' ' H ' ' A' ' 14' ' ' ASN . 69.2 p -93.68 68.88 4.03 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 123.125 1.44 . . . . 0.0 109.496 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -67.94 25.93 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 111.469 -2.605 . . . . 0.0 114.525 170.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.468 ' H ' ' C ' ' A' ' 12' ' ' SER . 30.7 p-10 -91.6 43.66 1.15 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.106 -1.406 . . . . 0.0 112.622 -175.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 m -109.46 154.79 22.14 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.875 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.5 m -58.27 -39.85 80.31 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 71.1 mtt85 -119.5 119.68 34.56 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 161.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.4 158.26 0.61 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -162.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 25.2 t -72.52 116.24 12.75 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.331 1.053 . . . . 0.0 112.645 -173.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -75.53 109.54 9.17 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -54.9 -44.16 73.9 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.823 1.649 . . . . 0.0 113.449 -178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -97.73 -10.49 24.81 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.502 ' HG2' HD22 ' A' ' 10' ' ' HYP . 7.7 mtpm? 52.13 38.84 25.36 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.546 1.938 . . . . 0.0 114.226 -168.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -133.69 142.8 48.17 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.147 1.379 . . . . 0.0 112.615 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 97.5 m -64.69 126.67 28.65 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.074 1.35 . . . . 0.0 110.905 176.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.54 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 26.2 m-85 -60.02 149.19 32.93 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 122.459 1.124 . . . . 0.0 113.517 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.514 0 O-C-N 120.5 -1.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.713 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 84.0 mttt -62.65 115.97 4.77 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 123.125 1.44 . . . . 0.0 114.388 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -39.85 144.08 0.21 Allowed 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 111.099 -2.773 . . . . 0.0 113.107 170.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.84 ' HD1' HH11 ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.91 -19.61 24.61 Favored Glycine 0 CA--C 1.545 1.922 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -65.99 151.44 46.81 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 117.547 0.674 . . . . 0.0 111.791 175.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -82.44 138.95 34.25 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.23 -176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.0 p -148.47 157.77 43.69 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 112.915 -1.948 . . . . 0.0 111.118 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.4 ' HB3' ' HB2' ' A' ' 12' ' ' SER . 12.6 t -93.17 148.63 21.86 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 113.043 -1.889 . . . . 0.0 112.798 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.887 ' HD1' ' HZ3' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p -118.36 27.58 8.87 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.92 0.888 . . . . 0.0 113.004 170.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 9' ' ' SER . 5.9 m -152.67 85.38 1.24 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.566 1.146 . . . . 0.0 107.926 173.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -82.01 51.84 1.84 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.994 -1.457 . . . . 0.0 109.623 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.713 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 30.0 p-10 -85.86 29.67 0.7 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 113.885 -1.507 . . . . 0.0 114.826 -171.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.0 m -110.26 154.33 23.59 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.865 -174.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -55.92 -50.69 70.01 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.044 -1.434 . . . . 0.0 112.902 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.84 HH11 ' HD1' ' A' ' 4' ' ' HYP . 1.7 mpt_? -111.0 41.64 1.78 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 174.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t 65.74 163.65 0.16 Allowed 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 125.897 1.679 . . . . 0.0 113.042 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 t -83.52 146.14 28.52 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.773 0.829 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -105.84 109.5 21.47 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.995 168.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -65.92 -27.61 68.31 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.757 -1.111 . . . . 0.0 113.886 -175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -112.29 -7.09 14.02 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.887 ' HZ3' ' HD1' ' A' ' 10' ' ' HYP . 33.4 mmtm 55.71 25.86 8.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.125 1.77 . . . . 0.0 113.659 -169.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -131.9 148.34 52.53 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.094 0.949 . . . . 0.0 113.346 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.29 139.62 58.78 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 113.945 -1.479 . . . . 0.0 112.463 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 95.8 m-85 -80.47 150.16 29.8 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 123.704 1.716 . . . . 0.0 110.679 170.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.524 0 O-C-N 120.74 -1.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.607 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 87.9 mttt -75.79 129.6 37.3 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.909 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -47.52 135.26 11.31 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 113.582 -1.644 . . . . 0.0 113.074 173.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.07 -37.25 3.91 Favored Glycine 0 CA--C 1.543 1.786 0 O-C-N 124.579 1.174 . . . . 0.0 115.719 -173.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.437 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 29.7 m -54.79 156.21 3.8 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -170.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 p -74.53 120.84 20.64 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.066 -1.424 . . . . 0.0 112.739 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.1 p -144.19 155.49 43.92 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 112.568 -2.105 . . . . 0.0 111.334 -171.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.475 ' HB3' ' OG ' ' A' ' 12' ' ' SER . 29.5 t -81.84 139.86 34.49 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 113.382 -1.735 . . . . 0.0 110.589 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.641 ' HD1' ' HD3' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -60.4 -32.28 71.17 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 -174.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' A' ' 9' ' ' SER . 7.4 p -82.03 -28.91 32.25 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.452 ' HE1' HD22 ' A' ' 21' ' ' HYP . 64.9 m-85 41.51 40.39 1.32 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.607 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 16.8 p-10 -82.05 36.36 0.46 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -164.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.7 m -117.85 153.62 33.2 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 125.883 1.673 . . . . 0.0 112.802 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.82 -41.28 95.4 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 113.292 -1.776 . . . . 0.0 111.641 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 84.7 mtm180 -120.4 90.44 3.33 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 153.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 t 16.67 148.58 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 108.476 -3.965 . . . . 0.0 116.818 164.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -83.9 151.92 24.82 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.558 -173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.417 ' HA ' HD23 ' A' ' 21' ' ' HYP . 42.7 t-20 -87.62 111.88 21.72 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 113.611 -1.631 . . . . 0.0 110.605 170.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.506 ' HA ' ' OD1' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -78.72 -60.82 2.22 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.4 p -105.68 20.09 19.49 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 118.321 2.712 . . . . 0.0 118.321 -174.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.641 ' HD3' ' HD1' ' A' ' 10' ' ' HYP . 47.9 mmtt 51.17 34.61 11.52 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.045 1.738 . . . . 0.0 112.561 171.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -133.63 143.07 48.38 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.878 -1.51 . . . . 0.0 111.515 -173.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 65.1 m -64.79 137.48 57.81 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.302 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 20.8 m-85 -72.24 149.76 44.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 123.337 1.541 . . . . 0.0 110.171 171.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.575 0 O-C-N 119.444 -2.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.554 1.117 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.884 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 70.6 mttt -66.81 104.05 1.25 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 113.903 -1.499 . . . . 0.0 113.017 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -28.26 143.76 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 112.98 -1.918 . . . . 0.0 113.915 168.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.446 HD22 ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.59 -29.0 8.96 Favored Glycine 0 N--CA 1.485 1.9 0 CA-C-N 114.624 -1.171 . . . . 0.0 114.682 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m -62.78 137.16 58.2 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.8 m -55.69 133.23 50.6 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 122.884 1.326 . . . . 0.0 113.247 168.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -150.49 167.01 28.43 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 126.443 1.897 . . . . 0.0 110.435 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -106.11 152.4 23.47 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.043 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.503 ' OD1' ' HA ' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p -80.88 -21.69 40.43 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 169.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.9 p -118.21 94.33 4.45 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 123.643 1.687 . . . . 0.0 111.731 -170.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.82 46.06 0.75 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 112.216 -2.265 . . . . 0.0 111.869 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.884 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 14.1 p-10 -87.03 35.44 0.69 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 113.337 -1.756 . . . . 0.0 113.702 -171.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.7 m -116.13 156.46 26.42 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 112.496 -2.138 . . . . 0.0 111.856 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HB2' HD22 ' A' ' 4' ' ' HYP . 73.3 m -62.9 -48.8 77.38 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 114.218 -1.356 . . . . 0.0 111.781 171.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.565 ' CZ ' ' HN1' ' A' ' 28' ' ' NH2 . 84.2 mtm180 -118.54 110.45 17.39 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 158.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 m -8.9 154.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.5 t -71.65 137.22 47.72 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.494 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -99.57 110.59 23.02 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.461 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.503 ' HA ' ' OD1' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -54.92 -44.62 74.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.124 1.37 . . . . 0.0 113.356 -176.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.4 p -106.93 -7.74 16.91 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm 41.14 37.72 0.62 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.178 1.791 . . . . 0.0 114.939 -163.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -135.43 136.99 41.79 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 111.86 -2.427 . . . . 0.0 110.045 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.1 m -54.67 140.68 34.76 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.418 1.087 . . . . 0.0 111.833 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -66.4 167.33 10.75 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 123.509 1.623 . . . . 0.0 110.82 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . 0.565 ' HN1' ' CZ ' ' A' ' 17' ' ' ARG . . . . . . . . 0 C--N 1.334 -0.084 0 O-C-N 120.688 -1.257 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.786 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 74.4 mttt -82.55 122.39 28.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.686 0.755 . . . . 0.0 111.616 169.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 m -47.44 133.22 12.99 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 112.797 -2.002 . . . . 0.0 111.395 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' O ' ' HD2' ' A' ' 25' ' ' ARG . . . 108.71 -38.58 3.26 Favored Glycine 0 N--CA 1.483 1.776 0 O-C-N 124.603 1.189 . . . . 0.0 114.051 -168.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -61.52 151.2 33.61 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -171.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.444 ' HA ' ' HD3' ' A' ' 25' ' ' ARG . 9.7 m -65.41 122.95 18.34 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 114.078 -1.419 . . . . 0.0 112.215 174.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.4 p -142.39 168.49 19.6 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 113.353 -1.749 . . . . 0.0 112.814 -170.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.2 t -95.25 118.54 32.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 112.125 -2.307 . . . . 0.0 112.168 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -75.86 -13.77 60.28 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -105.8 -25.3 12.24 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -175.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.587 ' HH ' ' HD1' ' A' ' 21' ' ' HYP . 43.1 m-85 48.82 44.01 21.61 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -175.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.786 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 12.8 p-10 -85.12 39.07 0.75 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -167.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.9 m -120.59 155.79 32.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.766 2.026 . . . . 0.0 107.918 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.16 -40.7 86.43 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 171.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 75.5 mtp180 -111.95 36.1 3.45 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 174.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.4 t 66.7 167.22 0.22 Allowed 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' H ' ' HD1' ' A' ' 13' ' ' TYR . 33.2 t -109.17 123.58 49.45 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.583 1.553 . . . . 0.0 112.331 -173.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.433 ' HA ' HD22 ' A' ' 21' ' ' HYP . 56.4 t30 -72.33 112.9 8.81 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.944 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.587 ' HD1' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -57.86 -45.27 86.55 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.5 p -95.21 -17.67 21.53 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -172.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 62.66 30.01 16.89 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 125.273 1.429 . . . . 0.0 111.665 -167.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 67.5 mmt-85 -127.99 138.72 52.71 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.153 0.501 . . . . 0.0 112.182 -173.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.78 138.13 58.31 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.511 1.125 . . . . 0.0 112.231 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 81.5 m-85 -72.52 151.67 42.33 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 123.177 1.465 . . . . 0.0 111.159 175.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.096 0 O-C-N 120.32 -1.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.519 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 88.9 mttt -67.43 116.47 8.21 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.315 172.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 p -35.85 132.31 0.49 Allowed 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 111.871 -2.422 . . . . 0.0 113.187 170.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.459 ' HD1' ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.05 -37.35 3.72 Favored Glycine 0 CA--C 1.538 1.479 0 O-C-N 124.682 1.239 . . . . 0.0 112.913 -172.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -56.64 139.4 50.27 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.6 m -56.37 116.6 3.17 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 113.323 -1.762 . . . . 0.0 114.436 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.8 p -127.94 -179.93 5.23 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 112.176 -2.284 . . . . 0.0 109.769 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -123.56 150.01 44.56 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.743 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.568 ' HB3' ' HB3' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.3 p -97.16 -13.85 21.84 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 170.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.2 p -139.49 97.99 3.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 122.954 1.359 . . . . 0.0 110.807 -174.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.422 ' HH ' ' HD1' ' A' ' 21' ' ' HYP . 90.5 m-85 -81.35 48.56 1.16 Allowed 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.288 175.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.519 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 22.2 p-10 -90.53 46.7 1.36 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 112.724 -2.035 . . . . 0.0 112.085 -168.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.4 m -122.81 151.7 41.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 112.902 -1.954 . . . . 0.0 110.74 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' HB2' ' HD1' ' A' ' 4' ' ' HYP . 58.8 m -62.12 -43.44 98.83 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.244 -1.344 . . . . 0.0 111.946 174.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 33.0 mtp180 -117.8 121.67 41.38 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 157.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 p -18.29 148.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 128.125 2.57 . . . . 0.0 116.929 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.97 140.03 55.04 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.504 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -91.41 112.4 24.29 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 161.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.568 ' HB3' ' HB3' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -58.32 -45.43 88.06 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.1 p -106.63 5.78 29.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.561 ' HZ3' ' HD1' ' A' ' 10' ' ' HYP . 29.8 mmtm 59.97 30.95 20.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.053 1.741 . . . . 0.0 114.353 175.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.4 mtm-85 -130.33 147.83 52.09 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.926 -173.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.7 m -67.83 136.99 54.97 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.731 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.596 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 21.2 m-85 -72.75 152.02 41.83 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 123.276 1.513 . . . . 0.0 111.758 174.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.43 133.29 45.81 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.362 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -60.25 128.71 38.09 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.027 1.331 . . . . 0.0 112.642 177.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.58 ' HD1' ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.94 -41.12 2.23 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 114.883 -1.053 . . . . 0.0 113.193 -168.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -53.77 148.26 10.37 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.865 0.833 . . . . 0.0 113.193 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.2 p -75.26 139.22 42.4 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 113.513 -1.676 . . . . 0.0 112.961 -173.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -155.64 157.76 37.23 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.4 -1.727 . . . . 0.0 112.407 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 t -95.88 156.31 16.39 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 112.433 -2.167 . . . . 0.0 109.716 172.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.858 ' HD1' ' HZ3' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 p -68.25 -8.42 39.11 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 178.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 p -117.51 73.27 0.87 Allowed 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.847 1.308 . . . . 0.0 110.828 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.806 ' HH ' ' HD1' ' A' ' 21' ' ' HYP . 29.7 m-85 -72.92 37.01 0.08 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 169.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -97.71 37.33 1.4 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.515 1.526 . . . . 0.0 114.783 -169.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.8 m -106.18 160.52 15.27 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 112.621 -2.081 . . . . 0.0 109.938 176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.58 ' HB2' ' HD1' ' A' ' 4' ' ' HYP . 72.2 m -60.51 -43.97 96.52 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -109.12 26.01 11.12 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.656 172.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t 67.62 177.41 0.24 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.54 2.336 . . . . 0.0 113.659 -174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.0 t -102.2 135.37 43.92 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.838 1.655 . . . . 0.0 108.803 -171.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -96.37 111.24 23.4 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 117.74 0.246 . . . . 0.0 111.358 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.806 ' HD1' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -58.98 -35.2 72.8 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.5 p -111.22 -5.61 14.68 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.858 ' HZ3' ' HD1' ' A' ' 10' ' ' HYP . 38.4 mmtm 50.37 27.85 2.96 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.731 1.613 . . . . 0.0 113.882 -166.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -135.31 144.34 46.67 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.226 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.9 m -57.96 135.63 56.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.194 -1.367 . . . . 0.0 110.529 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -60.78 139.26 57.98 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.069 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 121.404 -0.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 1.016 ' HB3' ' HG ' ' A' ' 6' ' ' SER . 15.4 mttp -91.2 116.7 29.03 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.321 160.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -45.77 147.85 0.87 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 112.316 -2.22 . . . . 0.0 112.115 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.481 ' O ' ' HD2' ' A' ' 25' ' ' ARG . . . 88.96 -15.44 57.85 Favored Glycine 0 CA--C 1.543 1.785 0 N-CA-C 115.412 0.925 . . . . 0.0 115.412 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 1.016 ' HG ' ' HB3' ' A' ' 2' ' ' LYS . 92.7 p -77.58 151.15 34.59 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.669 0.788 . . . . 0.0 112.369 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.8 t -72.62 123.23 22.81 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -169.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.0 p -135.25 156.1 49.53 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 112.92 -1.945 . . . . 0.0 112.064 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.458 ' HG ' HG23 ' A' ' 11' ' ' THR . 28.9 t -90.07 146.27 24.45 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.205 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.944 ' HD1' ' HZ3' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.458 HG23 ' HG ' ' A' ' 9' ' ' SER . 8.8 t -115.5 -14.82 11.52 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 168.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -89.35 -53.13 4.69 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 95.4 m-85 57.98 29.25 17.39 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 176.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.939 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 18.5 p-10 -84.14 42.35 0.87 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.312 1.845 . . . . 0.0 114.547 -174.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -120.69 148.7 43.59 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.087 -1.415 . . . . 0.0 110.905 -175.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.3 m -60.16 -42.97 96.06 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.592 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 68.8 mtm-85 -113.83 123.56 50.11 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 160.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.1 t -10.57 154.21 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.798 2.839 . . . . 0.0 118.3 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 13' ' ' TYR . 11.5 t -75.55 147.81 39.39 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -104.36 110.11 22.23 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 161.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.573 ' HB3' ' HB3' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -61.29 -49.59 76.44 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.876 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 t -92.6 2.07 56.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.944 ' HZ3' ' HD1' ' A' ' 10' ' ' HYP . 33.7 mmtm 55.31 38.42 30.33 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.016 1.726 . . . . 0.0 113.291 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' HD2' ' O ' ' A' ' 5' ' ' GLY . 16.4 mmt180 -147.52 147.07 29.75 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.036 0.934 . . . . 0.0 111.828 -167.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.402 ' HB2' ' H ' ' A' ' 5' ' ' GLY . 66.4 m -69.69 139.2 53.42 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.264 176.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.592 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 32.6 m-85 -70.34 150.24 46.52 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.35 1.072 . . . . 0.0 111.092 172.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . 0.523 ' HN1' HH21 ' A' ' 17' ' ' ARG . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.798 -1.189 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 115.373 1.619 . . . . 0.0 115.373 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -55.87 137.7 49.82 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.45 1.5 . . . . 0.0 112.846 173.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -67.04 145.02 55.81 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.243 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.71 -39.29 2.84 Favored Glycine 0 CA--C 1.551 2.339 0 CA-C-N 114.562 -1.199 . . . . 0.0 113.542 -171.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -58.9 143.77 46.76 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -172.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.9 p -71.67 129.52 38.89 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 113.531 -1.668 . . . . 0.0 110.522 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -155.89 156.96 35.54 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.647 -170.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t -84.45 143.64 29.27 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 111.151 -2.75 . . . . 0.0 111.379 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.3 p -106.78 -3.03 20.88 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 167.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 p -121.45 77.89 1.38 Allowed 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.921 ' HH ' ' HD1' ' A' ' 21' ' ' HYP . 72.7 m-85 -69.14 41.05 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.974 -1.079 . . . . 0.0 113.465 172.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -81.74 36.21 0.43 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.862 1.665 . . . . 0.0 114.538 -173.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.1 m -120.67 153.23 37.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.498 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.8 m -58.96 -46.57 87.73 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.449 -1.25 . . . . 0.0 112.976 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 73.6 mtp180 -106.24 31.75 4.92 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 174.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 t 67.65 169.59 0.26 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.514 2.326 . . . . 0.0 112.949 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 41.9 t -93.47 137.57 32.62 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.803 1.241 . . . . 0.0 110.205 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -86.05 115.43 23.64 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.742 0.817 . . . . 0.0 110.083 171.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.921 ' HD1' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -56.37 -51.64 67.54 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -99.78 1.9 43.59 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp 59.32 33.14 22.38 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.397 1.479 . . . . 0.0 114.811 -175.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.66 150.47 48.52 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.612 -169.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 80.9 m -65.66 132.65 49.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 176.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 63.0 m-85 -64.75 164.39 12.27 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 123.595 1.664 . . . . 0.0 109.553 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.032 0 O-C-N 119.3 -2.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.484 1.225 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.78 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 73.0 mttt -66.19 149.57 50.12 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 122.405 1.097 . . . . 0.0 111.82 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p -58.56 140.89 53.53 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 113.92 -1.491 . . . . 0.0 114.084 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.07 -28.36 13.12 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 125.01 1.291 . . . . 0.0 113.821 -174.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -63.0 155.23 28.12 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 p -79.06 124.79 28.63 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 113.742 -1.572 . . . . 0.0 112.61 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 p -140.61 168.17 20.43 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 112.338 -2.21 . . . . 0.0 112.428 -170.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -100.05 131.21 46.14 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.236 167.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.5 p -56.88 -26.21 58.39 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 p -103.85 -28.34 11.67 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 49.75 42.31 23.47 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.78 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 13.4 p-10 -89.2 42.99 1.12 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 112.808 -1.996 . . . . 0.0 115.542 -161.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 1.0 OUTLIER -126.87 153.9 45.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 112.533 -2.121 . . . . 0.0 111.968 178.053 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.1 m -58.57 -36.6 74.2 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.363 -1.29 . . . . 0.0 114.064 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 10.9 mtp180 -110.65 30.18 7.05 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 167.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t 61.52 171.53 0.11 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.981 1.713 . . . . 0.0 113.983 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.1 t -108.23 122.77 47.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.757 1.623 . . . . 0.0 112.441 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -66.6 118.52 10.3 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.702 0.801 . . . . 0.0 112.165 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -61.15 -30.96 70.7 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.8 p -118.99 -12.46 9.53 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.3 mttt 57.23 25.73 11.4 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -165.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 -122.45 146.74 47.09 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.613 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.3 m -73.59 136.88 44.0 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -174.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 68.5 m-85 -62.69 153.37 32.7 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 112.827 -1.988 . . . . 0.0 110.111 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.911 0 O-C-N 119.991 -1.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.0 p . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.924 ' HZ1' HD21 ' A' ' 14' ' ' ASN . 33.5 mmtm -67.15 131.88 46.69 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.79 0.805 . . . . 0.0 109.64 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -56.3 135.35 53.68 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 113.985 -1.461 . . . . 0.0 112.245 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.19 -26.04 20.06 Favored Glycine 0 CA--C 1.545 1.93 0 CA-C-N 113.686 -1.597 . . . . 0.0 115.47 -169.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -73.58 148.87 42.54 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -176.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 p -70.75 114.63 9.02 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 113.762 -1.563 . . . . 0.0 114.59 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -132.01 165.16 24.59 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 111.955 -2.384 . . . . 0.0 113.61 -171.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.0 t -105.59 145.42 31.01 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 113.749 -1.568 . . . . 0.0 110.655 170.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.894 ' HD1' ' HZ3' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.5 p -78.08 -10.72 59.75 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 p -107.74 -27.05 10.52 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 172.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 33.55 36.32 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -171.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.924 HD21 ' HZ1' ' A' ' 2' ' ' LYS . 13.5 p-10 -76.0 30.79 0.11 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.233 2.613 . . . . 0.0 117.121 -169.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -109.31 147.86 31.98 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 128.013 2.525 . . . . 0.0 111.389 -171.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.8 m -61.1 -38.71 87.26 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 112.855 -1.975 . . . . 0.0 111.746 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -128.98 120.47 26.12 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 158.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 m -15.29 154.25 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 128.63 2.772 . . . . 0.0 118.435 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' O ' HD22 ' A' ' 21' ' ' HYP . 42.6 t -82.65 125.9 31.73 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.106 -173.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -75.22 114.57 13.88 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.939 1.399 . . . . 0.0 108.51 172.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.465 HD22 ' O ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -53.96 -49.38 68.89 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -172.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -109.01 7.12 25.69 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.894 ' HZ3' ' HD1' ' A' ' 10' ' ' HYP . 30.4 mmtm 53.71 36.21 23.2 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.53 1.532 . . . . 0.0 114.28 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 mtt85 -135.24 145.4 47.59 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.064 -173.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.0 m -64.28 135.96 56.72 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.785 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -68.98 155.44 40.33 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 124.006 1.86 . . . . 0.0 111.895 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.536 0 O-C-N 119.953 -1.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.578 ' HE3' ' HB3' ' A' ' 14' ' ' ASN . 10.4 mtmp? -80.46 133.4 35.85 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.522 176.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -54.87 143.2 26.67 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 114.284 -1.325 . . . . 0.0 113.344 -176.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.513 ' HD1' ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.43 -38.68 3.14 Favored Glycine 0 N--CA 1.483 1.805 0 CA-C-N 113.565 -1.652 . . . . 0.0 113.996 -165.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -61.39 137.35 58.24 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.999 0.904 . . . . 0.0 112.617 -177.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.2 m -55.75 146.51 21.14 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.086 -1.87 . . . . 0.0 113.165 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.549 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 20.6 p -165.9 145.83 6.41 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 113.378 -1.737 . . . . 0.0 110.061 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.577 ' HG ' HG23 ' A' ' 11' ' ' THR . 4.0 p -79.49 168.92 18.79 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.011 174.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.492 HD22 ' HG2' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.577 HG23 ' HG ' ' A' ' 9' ' ' SER . 12.1 t -100.41 -9.96 21.66 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -102.57 67.75 1.02 Allowed 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 122.267 1.032 . . . . 0.0 109.28 -171.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -75.71 43.92 0.27 Allowed 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 113.864 -1.517 . . . . 0.0 112.256 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.578 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 27.9 t30 -97.9 35.14 1.76 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.117 -1.856 . . . . 0.0 109.624 -174.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 92.5 m -116.67 149.15 40.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 113.875 -1.512 . . . . 0.0 111.384 -169.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.513 ' HB2' ' HD1' ' A' ' 4' ' ' HYP . 67.3 m -55.88 -45.99 78.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.802 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 81.7 mtm180 -117.22 40.69 2.96 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 168.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t 62.39 162.29 0.09 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.357 1.463 . . . . 0.0 113.47 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.7 t -85.43 136.36 33.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.189 0.996 . . . . 0.0 109.822 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.472 ' OD1' ' HD2' ' A' ' 22' ' ' TYR . 65.3 t30 -83.54 105.58 14.58 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.677 163.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.472 ' HD2' ' OD1' ' A' ' 20' ' ' ASN . 59.5 m-85 -59.15 -50.01 75.67 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 114.102 -1.408 . . . . 0.0 112.878 -175.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -107.77 1.95 23.29 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HG2' HD22 ' A' ' 10' ' ' HYP . 21.1 mtmm 56.86 41.77 27.46 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 174.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -137.77 151.61 48.33 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.763 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.3 m -67.3 134.64 51.95 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.5 0.72 . . . . 0.0 110.671 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.473 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 85.4 m-85 -67.94 142.99 55.84 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 122.899 1.333 . . . . 0.0 111.435 178.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.116 0 O-C-N 119.436 -2.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.708 ' HZ1' HD21 ' A' ' 14' ' ' ASN . 11.8 mptt -68.12 134.28 50.3 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.053 0.93 . . . . 0.0 111.619 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -64.73 136.03 56.49 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 113.34 -1.755 . . . . 0.0 113.465 -175.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.96 -39.54 2.58 Favored Glycine 0 CA--C 1.546 1.97 0 O-C-N 124.425 1.078 . . . . 0.0 114.747 -168.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -68.98 158.99 33.6 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.0 m -72.84 129.92 39.26 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 122.915 1.34 . . . . 0.0 113.07 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 p -140.79 167.96 20.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 112.236 -2.256 . . . . 0.0 111.403 -171.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.53 125.89 51.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.91 177.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -73.38 6.55 2.85 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 173.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 p -143.91 -26.73 0.54 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 120.09 3.367 . . . . 0.0 120.09 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.78 ' HH ' ' HD1' ' A' ' 21' ' ' HYP . 57.5 m-85 55.8 44.64 25.76 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.88 1.672 . . . . 0.0 114.706 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.708 HD21 ' HZ1' ' A' ' 2' ' ' LYS . 12.3 p-10 -86.71 38.62 0.8 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 112.269 -2.241 . . . . 0.0 116.611 -166.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.5 m -107.52 159.15 16.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.161 -1.381 . . . . 0.0 108.394 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.8 m -57.55 -27.93 63.08 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -105.81 -79.23 0.56 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 160.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 m -160.23 157.69 28.65 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.632 1.173 . . . . 0.0 111.654 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.3 t -89.81 136.7 32.89 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.01 0.819 . . . . 0.0 109.106 175.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -87.61 118.42 27.09 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.094 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.78 ' HD1' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -72.71 -26.26 61.53 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -172.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -122.48 -2.46 8.95 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.9 mttp 46.29 37.79 4.47 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 126.425 1.89 . . . . 0.0 113.899 -168.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -129.23 146.37 51.15 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 112.236 -2.257 . . . . 0.0 111.505 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.83 132.18 47.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.523 -1.217 . . . . 0.0 114.083 -174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -68.97 158.2 35.18 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.122 160.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.043 0 O-C-N 120.357 -1.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.901 ' HZ1' HD21 ' A' ' 14' ' ' ASN . 61.0 mttp -68.6 124.47 23.69 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 123.046 1.403 . . . . 0.0 110.505 177.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -51.69 145.42 9.31 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 111.895 -2.411 . . . . 0.0 111.321 -175.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.485 ' HD1' ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.36 -36.04 4.49 Favored Glycine 0 CA--C 1.538 1.499 0 CA-C-N 114.874 -1.057 . . . . 0.0 113.387 -172.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -59.75 146.05 42.91 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 122.166 0.984 . . . . 0.0 113.315 -172.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 p -68.99 124.42 23.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 112.921 -1.945 . . . . 0.0 112.229 170.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 p -115.1 -173.69 2.36 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.761 2.024 . . . . 0.0 111.532 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -110.55 116.25 31.05 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 112.021 -2.354 . . . . 0.0 105.367 161.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.478 ' HD1' ' HG2' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 p -69.75 -25.37 63.79 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 m -84.64 -18.07 36.58 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 42.31 43.6 3.04 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.966 1.706 . . . . 0.0 114.77 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.901 HD21 ' HZ1' ' A' ' 2' ' ' LYS . 6.5 p-10 -75.63 31.62 0.11 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 117.953 2.575 . . . . 0.0 117.953 -171.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -121.59 148.8 44.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.767 1.627 . . . . 0.0 113.375 -174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.485 ' HB2' ' HD1' ' A' ' 4' ' ' HYP . 54.7 m -55.23 -62.49 1.63 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.238 -1.346 . . . . 0.0 113.566 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.543 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 79.0 mtp180 -95.64 34.64 1.46 Allowed 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.5 0.667 . . . . 0.0 112.643 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t 63.54 162.94 0.11 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.861 1.664 . . . . 0.0 113.105 -176.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -107.55 142.15 37.9 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.129 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -76.48 112.7 13.29 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 113.317 -1.765 . . . . 0.0 110.367 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -68.92 -42.46 76.76 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.3 p -102.03 -13.88 17.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -168.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HG2' ' HD1' ' A' ' 10' ' ' HYP . 50.3 mtmt 64.45 21.44 12.47 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.765 1.626 . . . . 0.0 113.271 -170.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -116.75 136.75 52.71 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 122.307 1.051 . . . . 0.0 112.793 -172.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.0 m -61.43 137.19 58.23 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.136 174.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.543 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 47.6 m-85 -77.92 158.51 29.33 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.104 1.362 . . . . 0.0 111.46 176.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.202 0 O-C-N 120.254 -1.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.725 ' HZ3' HD22 ' A' ' 14' ' ' ASN . 64.8 mttt -66.28 143.63 57.09 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 122.778 1.275 . . . . 0.0 109.412 177.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -58.44 136.91 57.59 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 113.887 -1.506 . . . . 0.0 111.524 172.101 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' HYP . . . . . 0.647 ' HD1' ' H ' ' A' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.58 -37.72 3.65 Favored Glycine 0 CA--C 1.541 1.673 0 O-C-N 124.864 1.353 . . . . 0.0 112.263 -169.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -59.35 144.01 47.84 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.1 m -66.42 126.5 29.03 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.712 -1.586 . . . . 0.0 112.393 175.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.6 p -147.02 147.27 30.49 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 113.173 -1.83 . . . . 0.0 112.023 -173.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -79.8 154.2 28.62 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.936 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' HYP . . . . . 0.885 ' HD1' ' HZ3' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 p -67.75 -25.38 65.6 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 176.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -119.53 71.84 0.89 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.934 1.35 . . . . 0.0 110.088 -160.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.678 ' HH ' ' HD1' ' A' ' 21' ' ' HYP . 89.1 m-85 -75.72 35.75 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 113.574 -1.648 . . . . 0.0 113.487 -178.281 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.725 HD22 ' HZ3' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -81.68 47.69 1.1 Allowed 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 124.189 1.947 . . . . 0.0 115.073 -172.175 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 6.6 m -124.62 152.08 44.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 112.823 -1.989 . . . . 0.0 110.88 177.475 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -55.51 -36.65 66.92 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.409 -1.723 . . . . 0.0 113.1 -178.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.647 ' H ' ' HD1' ' A' ' 4' ' ' HYP . 71.0 mmt-85 -117.86 37.72 3.87 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 168.304 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t 64.34 167.39 0.16 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.861 1.664 . . . . 0.0 113.726 173.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 t -92.01 149.26 21.62 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 122.812 1.291 . . . . 0.0 109.756 177.605 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -102.75 109.85 21.58 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.991 166.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' HYP . . . . . 0.678 ' HD1' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -64.55 -61.79 1.99 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.575 1.15 . . . . 0.0 111.641 -174.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 p -66.84 -20.23 65.89 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.885 ' HZ3' ' HD1' ' A' ' 10' ' ' HYP . 36.8 mmtm 60.68 22.77 12.64 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.777 2.031 . . . . 0.0 113.061 -169.32 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -127.77 157.93 39.04 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.321 1.449 . . . . 0.0 110.921 -177.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.7 m -83.5 140.88 32.03 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' O ' ' HB3' ' A' ' 4' ' ' HYP . 73.4 m-85 -66.7 131.96 47.08 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 114.979 -1.01 . . . . 0.0 113.297 -173.409 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.254 0 O-C-N 121.626 -0.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.555 1.155 0 CA-C-O 120.994 0.426 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -97.39 135.74 38.85 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 122.784 1.278 . . . . 0.0 112.805 158.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.48 1.052 0 CA-C-N 111.958 -2.383 . . . . 0.0 112.857 171.556 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.763 0 N-CA-C 114.983 0.753 . . . . 0.0 114.983 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -71.76 142.15 49.73 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.4 m -60.63 104.58 0.35 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.324 2.25 . . . . 0.0 113.278 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 p -133.21 162.02 32.9 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.531 2.333 . . . . 0.0 112.086 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.471 0.62 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.685 172.352 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 116.729 2.122 . . . . 0.0 116.729 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 p -70.59 -22.62 62.54 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 44.59 45.71 7.98 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.546 1.938 . . . . 0.0 113.672 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -81.5 42.4 0.68 Allowed 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.5 m -117.66 160.42 21.32 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.972 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.89 -46.1 79.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.385 166.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 70.9 mtm180 -108.8 120.46 42.55 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.61 1.194 . . . . 0.0 109.244 163.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.0 p -36.7 149.63 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 112.465 -2.152 . . . . 0.0 116.073 -168.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 9.9 t -75.43 121.02 21.67 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 112.845 -1.98 . . . . 0.0 108.981 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 174.368 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 25' ' ' ARG . 81.7 p -104.14 -13.38 16.26 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -173.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 66.53 30.4 8.55 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 123.052 1.406 . . . . 0.0 112.315 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 23' ' ' THR . 23.3 mtm180 -136.68 135.29 38.08 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.56 -172.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.9 m -63.25 134.58 56.11 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.075 0.95 . . . . 0.0 113.429 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 39.4 m-85 . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 125.308 2.48 . . . . 0.0 111.35 172.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.649 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 56.0 mmtt -90.6 140.37 29.82 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.484 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 N--CA 1.471 0.621 0 CA-C-N 113.667 -1.606 . . . . 0.0 113.068 -173.196 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.428 0 N-CA-C 115.229 0.851 . . . . 0.0 115.229 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.649 ' OG ' ' HB3' ' A' ' 2' ' ' LYS . 60.5 p -70.17 161.55 30.02 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.6 p -67.93 143.93 55.44 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 114.498 -1.228 . . . . 0.0 113.508 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.2 p -159.6 158.37 31.51 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.858 -1.519 . . . . 0.0 112.016 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 113.074 -1.876 . . . . 0.0 111.735 -177.019 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p . . . . . 0 N--CA 1.485 1.28 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -138.99 96.69 3.16 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 122.562 1.172 . . . . 0.0 109.754 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -78.94 56.72 2.0 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 113.359 -1.746 . . . . 0.0 110.501 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -74.13 37.64 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.772 1.629 . . . . 0.0 114.985 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.8 m -122.97 144.51 49.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 113.648 -1.614 . . . . 0.0 112.612 -170.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.95 -46.47 90.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 112.612 -2.085 . . . . 0.0 111.378 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 71.7 mtm180 -115.51 119.35 35.9 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 161.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.7 p -22.17 152.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 -169.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 t -65.78 142.9 57.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.577 -0.702 . . . . 0.0 110.904 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 158.621 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.7 p -88.63 -23.77 22.98 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm 67.79 23.73 8.44 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.206 2.202 . . . . 0.0 112.001 -168.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -123.13 146.53 47.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.054 1.342 . . . . 0.0 110.963 -177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.6 m -63.29 137.33 58.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.038 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 25.5 m-85 . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 122.954 1.359 . . . . 0.0 110.998 171.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.553 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 8.4 mmmm -71.29 111.28 6.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.292 -1.776 . . . . 0.0 111.89 175.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.483 1.2 0 CA-C-N 112.441 -2.163 . . . . 0.0 111.94 176.728 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 CA-C-O 120.408 -0.107 . . . . 0.0 113.289 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.553 ' OG ' ' HB3' ' A' ' 2' ' ' LYS . 99.6 p -62.17 167.42 4.04 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.573 0.701 . . . . 0.0 112.058 174.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.0 t -90.86 148.62 22.37 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.991 -172.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.5 159.65 44.06 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.474 0.725 0 CA-C-N 111.42 -2.627 . . . . 0.0 111.896 -179.614 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -127.19 93.7 3.81 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -171.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -71.38 64.41 0.4 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 123.152 1.453 . . . . 0.0 107.642 171.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -78.11 35.36 0.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 113.881 -1.508 . . . . 0.0 114.783 -171.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.4 m -126.94 154.19 44.85 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.669 -162.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.9 m -66.69 -46.59 75.11 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 113.073 -1.876 . . . . 0.0 111.704 174.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -117.08 120.81 39.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.647 0.592 . . . . 0.0 112.192 153.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.7 t -8.69 144.8 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 130.426 3.49 . . . . 0.0 118.149 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.5 139.32 58.48 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.423 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 158.126 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.1 p -111.44 -0.68 16.18 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm 56.45 24.47 8.56 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.887 1.675 . . . . 0.0 114.008 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -117.01 144.79 44.19 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 122.244 1.021 . . . . 0.0 110.787 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.7 m -68.42 130.66 43.53 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 113.506 -1.679 . . . . 0.0 110.706 171.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 123.536 1.636 . . . . 0.0 113.107 177.018 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.28 116.19 5.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 113.595 -1.639 . . . . 0.0 113.185 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 CA--C 1.545 0.781 0 CA-C-N 111.519 -2.582 . . . . 0.0 112.114 171.095 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -52.43 128.8 26.79 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.357 1.463 . . . . 0.0 113.51 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.2 m -57.25 133.47 55.11 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 p -145.57 162.27 37.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 128.594 2.758 . . . . 0.0 109.371 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' A' ' 12' ' ' SER . 15.6 t . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.609 0.719 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.445 ' HB2' ' H ' ' A' ' 9' ' ' SER . 13.0 m -154.39 90.68 1.35 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 123.108 1.432 . . . . 0.0 110.47 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -90.92 37.95 0.94 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 113.646 -1.615 . . . . 0.0 113.951 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -87.57 39.73 0.89 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 76.8 m -117.53 154.18 31.93 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 113.657 -1.61 . . . . 0.0 110.72 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m -68.53 -39.54 81.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 73.1 mtp180 -119.44 107.4 13.29 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 153.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.0 m -1.77 151.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 118.775 2.88 . . . . 0.0 118.775 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -63.22 127.11 29.77 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.526 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 170.738 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.2 t80 . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -99.81 -3.36 32.81 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 mttp 54.12 39.46 30.69 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.74 1.216 . . . . 0.0 112.591 -175.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -135.63 135.08 39.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.319 1.048 . . . . 0.0 108.871 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.0 m -60.46 129.21 40.45 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.793 0.683 . . . . 0.0 111.903 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.57 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 19.8 m-85 . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 124.253 1.021 . . . . 0.0 110.524 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -82.82 115.07 21.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 122.617 1.199 . . . . 0.0 112.258 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.479 1.004 0 CA-C-N 113.155 -1.839 . . . . 0.0 111.731 171.009 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.703 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -55.99 152.76 9.76 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -172.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.5 p -77.01 127.94 33.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.676 1.19 . . . . 0.0 113.948 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.8 157.29 45.37 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.835 2.054 . . . . 0.0 111.505 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 169.758 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.2 p -108.99 88.45 2.73 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.255 1.026 . . . . 0.0 109.089 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -75.36 49.25 0.46 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 112.803 -1.999 . . . . 0.0 112.825 171.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.748 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.0 OUTLIER -96.0 44.5 1.08 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 113.42 -1.718 . . . . 0.0 112.34 -172.677 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.3 m -122.61 148.95 44.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 112.211 -2.268 . . . . 0.0 109.818 -173.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -61.27 -32.25 72.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.659 174.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -131.97 99.58 4.79 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.631 0.773 . . . . 0.0 110.684 157.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' HD2' ' A' ' 27' ' ' TYR . 33.8 p 21.75 139.85 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 118.897 2.925 . . . . 0.0 118.897 168.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.83 139.22 56.56 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 122.047 0.927 . . . . 0.0 110.115 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 . . . . . 0 C--N 1.317 -0.838 0 N-CA-C 103.925 -2.62 . . . . 0.0 103.925 162.922 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.8 p -84.31 -5.66 59.29 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.25 -1.341 . . . . 0.0 114.55 -174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm 56.44 25.77 10.03 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.433 1.493 . . . . 0.0 112.843 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -125.69 150.5 47.59 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -175.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.7 m -71.16 126.1 28.69 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.379 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HD2' ' OG ' ' A' ' 18' ' ' SER . 4.5 m-85 . . . . . 0 C--O 1.212 -0.896 0 CA-C-O 123.211 1.482 . . . . 0.0 113.198 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -83.37 124.78 30.99 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.829 163.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.476 0.827 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.867 -179.351 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.836 0 CA-C-O 119.163 -0.798 . . . . 0.0 114.641 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -62.22 141.68 58.08 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 p -71.67 122.3 20.35 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.315 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 p -146.05 155.22 42.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.915 1.686 . . . . 0.0 111.472 -169.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 N--CA 1.477 0.894 0 CA-C-N 113.234 -1.803 . . . . 0.0 111.762 171.581 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.22 79.76 1.83 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.939 0.876 . . . . 0.0 109.791 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CD1' ' HB3' ' A' ' 19' ' ' CYS . 44.8 m-85 -75.88 39.54 0.18 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -89.42 52.26 2.31 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.876 1.322 . . . . 0.0 112.982 -176.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.8 m -105.74 158.32 16.81 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.562 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.33 -49.06 79.1 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.488 167.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.586 ' NH1' ' H ' ' A' ' 18' ' ' SER . 10.5 mmm180 -119.98 137.85 53.83 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.274 0.984 . . . . 0.0 111.916 162.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.586 ' H ' ' NH1' ' A' ' 17' ' ' ARG . 33.0 t -43.28 146.73 0.43 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 -160.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 13' ' ' TYR . 43.8 t -68.19 132.13 46.61 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.441 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 . . . . . 0 CA--C 1.536 0.42 0 CA-C-N 113.161 -1.836 . . . . 0.0 108.772 -178.6 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.4 p -108.26 -9.64 15.48 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm 61.36 23.35 13.6 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.569 1.948 . . . . 0.0 113.06 -169.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -117.18 150.97 37.85 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.498 1.119 . . . . 0.0 112.4 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 82.1 m -66.71 136.72 55.95 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.56 1.144 . . . . 0.0 111.808 172.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 123.158 1.456 . . . . 0.0 113.799 178.772 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -53.76 -9.7 0.24 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.482 1.149 0 C-N-CA 125.655 1.582 . . . . 0.0 112.844 -163.007 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.845 0 CA-C-O 121.824 0.68 . . . . 0.0 113.096 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -54.32 135.03 45.28 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -176.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -66.38 116.29 7.23 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 113.307 -1.769 . . . . 0.0 108.816 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -141.82 152.31 43.58 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 112.883 -1.962 . . . . 0.0 110.197 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.245 176.509 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 14' ' ' ASN . 69.2 p -93.68 68.88 4.03 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 123.125 1.44 . . . . 0.0 109.496 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -67.94 25.93 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 111.469 -2.605 . . . . 0.0 114.525 170.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 12' ' ' SER . 30.7 p-10 -91.6 43.66 1.15 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.106 -1.406 . . . . 0.0 112.622 -175.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 m -109.46 154.79 22.14 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.875 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.5 m -58.27 -39.85 80.31 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.55 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 71.1 mtt85 -119.5 119.68 34.56 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 161.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.4 158.26 0.61 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -162.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 25.2 t -72.52 116.24 12.75 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.331 1.053 . . . . 0.0 112.645 -173.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.808 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -97.73 -10.49 24.81 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? 52.13 38.84 25.36 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.546 1.938 . . . . 0.0 114.226 -168.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -133.69 142.8 48.17 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.147 1.379 . . . . 0.0 112.615 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 97.5 m -64.69 126.67 28.65 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.074 1.35 . . . . 0.0 110.905 176.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.55 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 26.2 m-85 . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 122.459 1.124 . . . . 0.0 113.517 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -62.65 115.97 4.77 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 123.125 1.44 . . . . 0.0 114.388 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.475 0.79 0 CA-C-N 111.099 -2.773 . . . . 0.0 113.107 170.087 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.922 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -65.99 151.44 46.81 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 117.547 0.674 . . . . 0.0 111.791 175.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -82.44 138.95 34.25 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.23 -176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.0 p -148.47 157.77 43.69 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 112.915 -1.948 . . . . 0.0 111.118 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.576 ' HG ' ' N ' ' A' ' 11' ' ' THR . 12.6 t . . . . . 0 C--O 1.246 0.873 0 CA-C-N 113.043 -1.889 . . . . 0.0 112.798 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.576 ' N ' ' HG ' ' A' ' 9' ' ' SER . 29.6 p . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -152.67 85.38 1.24 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.566 1.146 . . . . 0.0 107.926 173.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -82.01 51.84 1.84 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.994 -1.457 . . . . 0.0 109.623 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.543 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.0 OUTLIER -85.86 29.67 0.7 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 113.885 -1.507 . . . . 0.0 114.826 -171.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.0 m -110.26 154.33 23.59 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.865 -174.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -55.92 -50.69 70.01 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.044 -1.434 . . . . 0.0 112.902 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 1.7 mpt_? -111.0 41.64 1.78 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 174.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t 65.74 163.65 0.16 Allowed 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 125.897 1.679 . . . . 0.0 113.042 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 t -83.52 146.14 28.52 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.773 0.829 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 . . . . . 0 N--CA 1.473 0.713 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.995 168.741 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -112.29 -7.09 14.02 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm 55.71 25.86 8.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.125 1.77 . . . . 0.0 113.659 -169.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -131.9 148.34 52.53 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.094 0.949 . . . . 0.0 113.346 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.29 139.62 58.78 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 113.945 -1.479 . . . . 0.0 112.463 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 95.8 m-85 . . . . . 0 CA--C 1.55 0.951 0 CA-C-O 123.704 1.716 . . . . 0.0 110.679 170.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.443 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 87.9 mttt -75.79 129.6 37.3 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.909 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.477 0.914 0 CA-C-N 113.582 -1.644 . . . . 0.0 113.074 173.917 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.786 0 N-CA-C 115.719 1.048 . . . . 0.0 115.719 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.433 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 29.7 m -54.79 156.21 3.8 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -170.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 p -74.53 120.84 20.64 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.066 -1.424 . . . . 0.0 112.739 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.1 p -144.19 155.49 43.92 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 112.568 -2.105 . . . . 0.0 111.334 -171.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.468 ' HB3' ' OG ' ' A' ' 12' ' ' SER . 29.5 t . . . . . 0 N--CA 1.477 0.898 0 CA-C-N 113.382 -1.735 . . . . 0.0 110.589 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.468 ' OG ' ' HB3' ' A' ' 9' ' ' SER . 7.4 p -82.03 -28.91 32.25 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 41.51 40.39 1.32 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.443 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 16.8 p-10 -82.05 36.36 0.46 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -164.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.7 m -117.85 153.62 33.2 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 125.883 1.673 . . . . 0.0 112.802 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.82 -41.28 95.4 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 113.292 -1.776 . . . . 0.0 111.641 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 84.7 mtm180 -120.4 90.44 3.33 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 153.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 t 16.67 148.58 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 108.476 -3.965 . . . . 0.0 116.818 164.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -83.9 151.92 24.82 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.558 -173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.541 0.632 0 CA-C-N 113.611 -1.631 . . . . 0.0 110.605 170.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.4 p -105.68 20.09 19.49 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 118.321 2.712 . . . . 0.0 118.321 -174.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt 51.17 34.61 11.52 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.045 1.738 . . . . 0.0 112.561 171.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -133.63 143.07 48.38 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.878 -1.51 . . . . 0.0 111.515 -173.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 65.1 m -64.79 137.48 57.81 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.302 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 20.8 m-85 . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 123.337 1.541 . . . . 0.0 110.171 171.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.554 1.117 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -66.81 104.05 1.25 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 113.903 -1.499 . . . . 0.0 113.017 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.482 1.135 0 CA-C-N 112.98 -1.918 . . . . 0.0 113.915 168.899 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.9 0 N-CA-C 114.682 0.633 . . . . 0.0 114.682 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m -62.78 137.16 58.2 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.8 m -55.69 133.23 50.6 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 122.884 1.326 . . . . 0.0 113.247 168.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -150.49 167.01 28.43 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 126.443 1.897 . . . . 0.0 110.435 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.478 0.938 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.043 177.862 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.9 p -118.21 94.33 4.45 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 123.643 1.687 . . . . 0.0 111.731 -170.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.82 46.06 0.75 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 112.216 -2.265 . . . . 0.0 111.869 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.55 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.4 OUTLIER -87.03 35.44 0.69 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 113.337 -1.756 . . . . 0.0 113.702 -171.381 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.7 m -116.13 156.46 26.42 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 112.496 -2.138 . . . . 0.0 111.856 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.3 m -62.9 -48.8 77.38 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 114.218 -1.356 . . . . 0.0 111.781 171.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -118.54 110.45 17.39 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 158.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 m -8.9 154.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.5 t -71.65 137.22 47.72 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.494 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.461 174.502 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 t80 . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.4 p -106.93 -7.74 16.91 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm 41.14 37.72 0.62 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.178 1.791 . . . . 0.0 114.939 -163.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -135.43 136.99 41.79 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 111.86 -2.427 . . . . 0.0 110.045 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.1 m -54.67 140.68 34.76 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.418 1.087 . . . . 0.0 111.833 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 123.509 1.623 . . . . 0.0 110.82 175.37 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -82.55 122.39 28.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.686 0.755 . . . . 0.0 111.616 169.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 m . . . . . 0 N--CA 1.474 0.756 0 CA-C-N 112.797 -2.002 . . . . 0.0 111.395 175.208 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.418 ' O ' ' HD2' ' A' ' 25' ' ' ARG . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 114.051 0.38 . . . . 0.0 114.051 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -61.52 151.2 33.61 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -171.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.479 ' HA ' ' HD3' ' A' ' 25' ' ' ARG . 9.7 m -65.41 122.95 18.34 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 114.078 -1.419 . . . . 0.0 112.215 174.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.4 p -142.39 168.49 19.6 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 113.353 -1.749 . . . . 0.0 112.814 -170.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.564 ' H ' HD22 ' A' ' 14' ' ' ASN . 30.2 t . . . . . 0 N--CA 1.472 0.654 0 CA-C-N 112.125 -2.307 . . . . 0.0 112.168 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -105.8 -25.3 12.24 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -175.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 43.1 m-85 48.82 44.01 21.61 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -175.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.565 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.1 OUTLIER -85.12 39.07 0.75 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -167.394 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.9 m -120.59 155.79 32.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.766 2.026 . . . . 0.0 107.918 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.16 -40.7 86.43 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 171.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 75.5 mtp180 -111.95 36.1 3.45 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 174.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.4 t 66.7 167.22 0.22 Allowed 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' H ' ' HD1' ' A' ' 13' ' ' TYR . 33.2 t -109.17 123.58 49.45 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.583 1.553 . . . . 0.0 112.331 -173.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.4 t30 . . . . . 0 N--CA 1.473 0.716 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.944 176.793 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.5 p -95.21 -17.67 21.53 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -172.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 62.66 30.01 16.89 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 125.273 1.429 . . . . 0.0 111.665 -167.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 67.5 mmt-85 -127.99 138.72 52.71 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.153 0.501 . . . . 0.0 112.182 -173.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.78 138.13 58.31 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.511 1.125 . . . . 0.0 112.231 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 81.5 m-85 . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 123.177 1.465 . . . . 0.0 111.159 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -67.43 116.47 8.21 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.315 172.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 p . . . . . 0 N--CA 1.478 0.942 0 CA-C-N 111.871 -2.422 . . . . 0.0 113.187 170.713 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.479 0 CA-C-O 120.228 -0.206 . . . . 0.0 112.913 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -56.64 139.4 50.27 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.6 m -56.37 116.6 3.17 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 113.323 -1.762 . . . . 0.0 114.436 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.8 p -127.94 -179.93 5.23 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 112.176 -2.284 . . . . 0.0 109.769 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.472 0.673 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.743 -179.915 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.2 p -139.49 97.99 3.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 122.954 1.359 . . . . 0.0 110.807 -174.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.35 48.56 1.16 Allowed 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.288 175.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -90.53 46.7 1.36 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 112.724 -2.035 . . . . 0.0 112.085 -168.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.4 m -122.81 151.7 41.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 112.902 -1.954 . . . . 0.0 110.74 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.8 m -62.12 -43.44 98.83 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.244 -1.344 . . . . 0.0 111.946 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 33.0 mtp180 -117.8 121.67 41.38 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 157.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 p -18.29 148.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 128.125 2.57 . . . . 0.0 116.929 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.97 140.03 55.04 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.504 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.5 t30 . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 161.613 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.1 p -106.63 5.78 29.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm 59.97 30.95 20.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.053 1.741 . . . . 0.0 114.353 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.4 mtm-85 -130.33 147.83 52.09 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.926 -173.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.7 m -67.83 136.99 54.97 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.731 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 21.2 m-85 . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 123.276 1.513 . . . . 0.0 111.758 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.43 133.29 45.81 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.362 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.479 1.015 0 C-N-CA 125.027 1.331 . . . . 0.0 112.642 177.876 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.706 0 CA-C-O 119.596 -0.558 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -53.77 148.26 10.37 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.865 0.833 . . . . 0.0 113.193 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.2 p -75.26 139.22 42.4 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 113.513 -1.676 . . . . 0.0 112.961 -173.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -155.64 157.76 37.23 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.4 -1.727 . . . . 0.0 112.407 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.478 0.971 0 CA-C-N 112.433 -2.167 . . . . 0.0 109.716 172.278 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 p -117.51 73.27 0.87 Allowed 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.847 1.308 . . . . 0.0 110.828 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.92 37.01 0.08 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -97.71 37.33 1.4 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.515 1.526 . . . . 0.0 114.783 -169.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB2' ' C ' ' A' ' 18' ' ' SER . 78.8 m -106.18 160.52 15.27 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 112.621 -2.081 . . . . 0.0 109.938 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -60.51 -43.97 96.52 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -109.12 26.01 11.12 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.656 172.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.405 ' C ' ' HB2' ' A' ' 15' ' ' CYS . 2.3 t 67.62 177.41 0.24 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.54 2.336 . . . . 0.0 113.659 -174.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.0 t -102.2 135.37 43.92 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.838 1.655 . . . . 0.0 108.803 -171.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.0 t30 . . . . . 0 N--CA 1.478 0.975 0 CA-C-N 117.74 0.246 . . . . 0.0 111.358 175.685 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.5 p -111.22 -5.61 14.68 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm 50.37 27.85 2.96 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.731 1.613 . . . . 0.0 113.882 -166.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -135.31 144.34 46.67 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.226 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.9 m -57.96 135.63 56.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.194 -1.367 . . . . 0.0 110.529 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 . . . . . 0 C--O 1.241 0.657 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.069 177.753 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.634 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 15.4 mttp -91.2 116.7 29.03 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.321 160.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 CA--C 1.549 0.92 0 CA-C-N 112.316 -2.22 . . . . 0.0 112.115 173.168 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.496 ' O ' ' HD2' ' A' ' 25' ' ' ARG . . . . . . . . 0 CA--C 1.543 1.785 0 N-CA-C 115.412 0.925 . . . . 0.0 115.412 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.634 ' OG ' ' HB3' ' A' ' 2' ' ' LYS . 92.7 p -77.58 151.15 34.59 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.669 0.788 . . . . 0.0 112.369 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 25' ' ' ARG . 7.8 t -72.62 123.23 22.81 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -169.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.0 p -135.25 156.1 49.53 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 112.92 -1.945 . . . . 0.0 112.064 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.58 ' HG ' ' N ' ' A' ' 11' ' ' THR . 28.9 t . . . . . 0 C--O 1.245 0.834 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.205 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.58 ' N ' ' HG ' ' A' ' 9' ' ' SER . 8.8 t . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -89.35 -53.13 4.69 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.429 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 95.4 m-85 57.98 29.25 17.39 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 176.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.827 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.0 OUTLIER -84.14 42.35 0.87 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.312 1.845 . . . . 0.0 114.547 -174.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -120.69 148.7 43.59 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.087 -1.415 . . . . 0.0 110.905 -175.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.3 m -60.16 -42.97 96.06 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 68.8 mtm-85 -113.83 123.56 50.11 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 160.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.1 t -10.57 154.21 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.798 2.839 . . . . 0.0 118.3 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.429 ' HB2' ' HA ' ' A' ' 13' ' ' TYR . 11.5 t -75.55 147.81 39.39 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 . . . . . 0 CA--C 1.545 0.753 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 161.864 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.6 t80 . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 t -92.6 2.07 56.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm 55.31 38.42 30.33 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.016 1.726 . . . . 0.0 113.291 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 5' ' ' GLY . 16.4 mmt180 -147.52 147.07 29.75 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.036 0.934 . . . . 0.0 111.828 -167.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.4 m -69.69 139.2 53.42 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.264 176.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.596 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 32.6 m-85 . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 122.35 1.072 . . . . 0.0 111.092 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 115.373 1.619 . . . . 0.0 115.373 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -55.87 137.7 49.82 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.45 1.5 . . . . 0.0 112.846 173.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.471 0.597 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.243 176.883 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.339 0 CA-C-O 119.266 -0.741 . . . . 0.0 113.542 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -58.9 143.77 46.76 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -172.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.9 p -71.67 129.52 38.89 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 113.531 -1.668 . . . . 0.0 110.522 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -155.89 156.96 35.54 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.647 -170.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.314 -0.961 0 CA-C-N 111.151 -2.75 . . . . 0.0 111.379 177.485 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 p -121.45 77.89 1.38 Allowed 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -69.14 41.05 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.974 -1.079 . . . . 0.0 113.465 172.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -81.74 36.21 0.43 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.862 1.665 . . . . 0.0 114.538 -173.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.1 m -120.67 153.23 37.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.498 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.8 m -58.96 -46.57 87.73 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.449 -1.25 . . . . 0.0 112.976 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 73.6 mtp180 -106.24 31.75 4.92 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 174.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 t 67.65 169.59 0.26 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.514 2.326 . . . . 0.0 112.949 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 41.9 t -93.47 137.57 32.62 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.803 1.241 . . . . 0.0 110.205 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 . . . . . 0 N--CA 1.473 0.68 0 C-N-CA 123.742 0.817 . . . . 0.0 110.083 171.302 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 t80 . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -99.78 1.9 43.59 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp 59.32 33.14 22.38 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.397 1.479 . . . . 0.0 114.811 -175.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.66 150.47 48.52 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.612 -169.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 80.9 m -65.66 132.65 49.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 176.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 63.0 m-85 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 123.595 1.664 . . . . 0.0 109.553 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.484 1.225 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.593 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 73.0 mttt -66.19 149.57 50.12 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 122.405 1.097 . . . . 0.0 111.82 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.477 0.9 0 CA-C-N 113.92 -1.491 . . . . 0.0 114.084 175.504 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.699 0 N-CA-C 113.821 0.289 . . . . 0.0 113.821 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -63.0 155.23 28.12 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 p -79.06 124.79 28.63 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 113.742 -1.572 . . . . 0.0 112.61 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 p -140.61 168.17 20.43 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 112.338 -2.21 . . . . 0.0 112.428 -170.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 CA--C 1.537 0.446 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.236 167.749 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.5 p . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 p -103.85 -28.34 11.67 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 49.75 42.31 23.47 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.548 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.9 OUTLIER -89.2 42.99 1.12 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 112.808 -1.996 . . . . 0.0 115.542 -161.646 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 1.0 OUTLIER -126.87 153.9 45.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 112.533 -2.121 . . . . 0.0 111.968 178.053 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.1 m -58.57 -36.6 74.2 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.363 -1.29 . . . . 0.0 114.064 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 10.9 mtp180 -110.65 30.18 7.05 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 167.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t 61.52 171.53 0.11 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.981 1.713 . . . . 0.0 113.983 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.1 t -108.23 122.77 47.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.757 1.623 . . . . 0.0 112.441 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 . . . . . 0 N--CA 1.482 1.159 0 C-N-CA 123.702 0.801 . . . . 0.0 112.165 178.726 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.8 p -118.99 -12.46 9.53 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.3 mttt 57.23 25.73 11.4 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -165.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 -122.45 146.74 47.09 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.613 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.3 m -73.59 136.88 44.0 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -174.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 68.5 m-85 . . . . . 0 N--CA 1.475 0.777 0 CA-C-N 112.827 -1.988 . . . . 0.0 110.111 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.0 p . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -67.15 131.88 46.69 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.79 0.805 . . . . 0.0 109.64 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.476 0.875 0 CA-C-N 113.985 -1.461 . . . . 0.0 112.245 175.537 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.93 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -73.58 148.87 42.54 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -176.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 p -70.75 114.63 9.02 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 113.762 -1.563 . . . . 0.0 114.59 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -132.01 165.16 24.59 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 111.955 -2.384 . . . . 0.0 113.61 -171.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 C--O 1.24 0.591 0 CA-C-N 113.749 -1.568 . . . . 0.0 110.655 170.686 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 p -107.74 -27.05 10.52 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 172.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 24.9 m-85 33.55 36.32 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -171.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.904 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.0 OUTLIER -76.0 30.79 0.11 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.233 2.613 . . . . 0.0 117.121 -169.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -109.31 147.86 31.98 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 128.013 2.525 . . . . 0.0 111.389 -171.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.8 m -61.1 -38.71 87.26 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 112.855 -1.975 . . . . 0.0 111.746 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -128.98 120.47 26.12 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 158.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 m -15.29 154.25 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 128.63 2.772 . . . . 0.0 118.435 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' H ' ' HD1' ' A' ' 13' ' ' TYR . 42.6 t -82.65 125.9 31.73 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.106 -173.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 t30 . . . . . 0 CA--C 1.54 0.58 0 O-C-N 124.939 1.399 . . . . 0.0 108.51 172.62 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.7 t80 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -109.01 7.12 25.69 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm 53.71 36.21 23.2 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.53 1.532 . . . . 0.0 114.28 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 mtt85 -135.24 145.4 47.59 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.064 -173.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.0 m -64.28 135.96 56.72 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.785 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 124.006 1.86 . . . . 0.0 111.895 178.139 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HE3' ' HB3' ' A' ' 14' ' ' ASN . 10.4 mtmp? -80.46 133.4 35.85 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.522 176.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.471 0.604 0 CA-C-N 114.284 -1.325 . . . . 0.0 113.344 -176.722 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.805 0 N-CA-C 113.996 0.358 . . . . 0.0 113.996 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -61.39 137.35 58.24 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.999 0.904 . . . . 0.0 112.617 -177.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.2 m -55.75 146.51 21.14 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.086 -1.87 . . . . 0.0 113.165 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.558 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 20.6 p -165.9 145.83 6.41 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 113.378 -1.737 . . . . 0.0 110.061 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 CA--C 1.558 1.284 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.011 174.04 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -102.57 67.75 1.02 Allowed 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 122.267 1.032 . . . . 0.0 109.28 -171.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -75.71 43.92 0.27 Allowed 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 113.864 -1.517 . . . . 0.0 112.256 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.581 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 12.3 t-20 -97.9 35.14 1.76 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.117 -1.856 . . . . 0.0 109.624 -174.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 92.5 m -116.67 149.15 40.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 113.875 -1.512 . . . . 0.0 111.384 -169.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.3 m -55.88 -45.99 78.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.802 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 81.7 mtm180 -117.22 40.69 2.96 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 168.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t 62.39 162.29 0.09 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.357 1.463 . . . . 0.0 113.47 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.7 t -85.43 136.36 33.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.189 0.996 . . . . 0.0 109.822 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.467 ' OD1' ' HD2' ' A' ' 22' ' ' TYR . 65.3 t30 . . . . . 0 CA--C 1.537 0.464 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.677 163.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HD2' ' OD1' ' A' ' 20' ' ' ASN . 59.5 m-85 . . . . . 0 CA--C 1.552 1.048 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -107.77 1.95 23.29 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm 56.86 41.77 27.46 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -137.77 151.61 48.33 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.763 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.3 m -67.3 134.64 51.95 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.5 0.72 . . . . 0.0 110.671 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 85.4 m-85 . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 122.899 1.333 . . . . 0.0 111.435 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.501 ' NZ ' HD22 ' A' ' 14' ' ' ASN . 11.8 mptt -68.12 134.28 50.3 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.053 0.93 . . . . 0.0 111.619 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 113.34 -1.755 . . . . 0.0 113.465 -175.236 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 1.97 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -68.98 158.99 33.6 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.0 m -72.84 129.92 39.26 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 122.915 1.34 . . . . 0.0 113.07 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 p -140.79 167.96 20.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 112.236 -2.256 . . . . 0.0 111.403 -171.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.58 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.91 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 p -143.91 -26.73 0.54 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 120.09 3.367 . . . . 0.0 120.09 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.447 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 57.5 m-85 55.8 44.64 25.76 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.88 1.672 . . . . 0.0 114.706 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.501 HD22 ' NZ ' ' A' ' 2' ' ' LYS . 12.3 p-10 -86.71 38.62 0.8 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 112.269 -2.241 . . . . 0.0 116.611 -166.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.5 m -107.52 159.15 16.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.161 -1.381 . . . . 0.0 108.394 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.8 m -57.55 -27.93 63.08 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -105.81 -79.23 0.56 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 160.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 m -160.23 157.69 28.65 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.632 1.173 . . . . 0.0 111.654 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' H ' ' HD1' ' A' ' 13' ' ' TYR . 22.3 t -89.81 136.7 32.89 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.01 0.819 . . . . 0.0 109.106 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 N--CA 1.48 1.061 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.094 175.782 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -122.48 -2.46 8.95 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.9 mttp 46.29 37.79 4.47 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 126.425 1.89 . . . . 0.0 113.899 -168.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -129.23 146.37 51.15 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 112.236 -2.257 . . . . 0.0 111.505 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.83 132.18 47.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.523 -1.217 . . . . 0.0 114.083 -174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 CA--C 1.54 0.565 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.122 160.257 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -68.6 124.47 23.69 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 123.046 1.403 . . . . 0.0 110.505 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-N 111.895 -2.411 . . . . 0.0 111.321 -175.432 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.499 0 N-CA-C 113.387 0.115 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -59.75 146.05 42.91 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 122.166 0.984 . . . . 0.0 113.315 -172.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 p -68.99 124.42 23.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 112.921 -1.945 . . . . 0.0 112.229 170.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 p -115.1 -173.69 2.36 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.761 2.024 . . . . 0.0 111.532 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.886 ' H ' HD22 ' A' ' 14' ' ' ASN . 1.3 t . . . . . 0 CA--C 1.546 0.808 0 CA-C-N 112.021 -2.354 . . . . 0.0 105.367 161.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 m -84.64 -18.07 36.58 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 42.31 43.6 3.04 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.966 1.706 . . . . 0.0 114.77 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.886 HD22 ' H ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -75.63 31.62 0.11 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 117.953 2.575 . . . . 0.0 117.953 -171.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -121.59 148.8 44.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.767 1.627 . . . . 0.0 113.375 -174.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.7 m -55.23 -62.49 1.63 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.238 -1.346 . . . . 0.0 113.566 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 79.0 mtp180 -95.64 34.64 1.46 Allowed 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.5 0.667 . . . . 0.0 112.643 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t 63.54 162.94 0.11 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.861 1.664 . . . . 0.0 113.105 -176.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -107.55 142.15 37.9 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.129 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 . . . . . 0 CA--C 1.553 1.08 0 CA-C-N 113.317 -1.765 . . . . 0.0 110.367 174.103 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.3 p -102.03 -13.88 17.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -168.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 64.45 21.44 12.47 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.765 1.626 . . . . 0.0 113.271 -170.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -116.75 136.75 52.71 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 122.307 1.051 . . . . 0.0 112.793 -172.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.0 m -61.43 137.19 58.23 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.136 174.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 47.6 m-85 . . . . . 0 N--CA 1.486 1.338 0 C-N-CA 125.104 1.362 . . . . 0.0 111.46 176.561 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 64.8 mttt -66.28 143.63 57.09 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 122.778 1.275 . . . . 0.0 109.412 177.671 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 CA--C 1.538 0.486 0 CA-C-N 113.887 -1.506 . . . . 0.0 111.524 172.101 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.673 0 CA-C-O 119.779 -0.456 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -59.35 144.01 47.84 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.1 m -66.42 126.5 29.03 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.712 -1.586 . . . . 0.0 112.393 175.719 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.6 p -147.02 147.27 30.49 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 113.173 -1.83 . . . . 0.0 112.023 -173.084 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.476 0.83 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.936 173.512 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -119.53 71.84 0.89 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.934 1.35 . . . . 0.0 110.088 -160.231 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -75.72 35.75 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 113.574 -1.648 . . . . 0.0 113.487 -178.281 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -81.68 47.69 1.1 Allowed 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 124.189 1.947 . . . . 0.0 115.073 -172.175 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 6.6 m -124.62 152.08 44.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 112.823 -1.989 . . . . 0.0 110.88 177.475 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -55.51 -36.65 66.92 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.409 -1.723 . . . . 0.0 113.1 -178.615 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 71.0 mmt-85 -117.86 37.72 3.87 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 168.304 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t 64.34 167.39 0.16 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.861 1.664 . . . . 0.0 113.726 173.723 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 t -92.01 149.26 21.62 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 122.812 1.291 . . . . 0.0 109.756 177.605 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 . . . . . 0 CA--C 1.541 0.613 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.991 166.99 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 p -66.84 -20.23 65.89 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm 60.68 22.77 12.64 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.777 2.031 . . . . 0.0 113.061 -169.32 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -127.77 157.93 39.04 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.321 1.449 . . . . 0.0 110.921 -177.175 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.7 m -83.5 140.88 32.03 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 73.4 m-85 . . . . . 0 N--CA 1.476 0.844 0 CA-C-N 114.979 -1.01 . . . . 0.0 113.297 -173.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.555 1.155 0 CA-C-O 120.994 0.426 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -97.39 135.74 38.85 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 122.784 1.278 . . . . 0.0 112.805 158.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -54.74 136.62 45.92 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 111.958 -2.383 . . . . 0.0 112.857 171.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.23 -24.44 7.1 Favored Glycine 0 CA--C 1.542 1.763 0 C-N-CA 124.989 1.28 . . . . 0.0 114.983 -171.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -71.76 142.15 49.73 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.4 m -60.63 104.58 0.35 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.324 2.25 . . . . 0.0 113.278 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 p -133.21 162.02 32.9 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.531 2.333 . . . . 0.0 112.086 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -87.91 126.52 35.09 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.685 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.443 ' HB2' ' HA ' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 p -64.61 -36.48 84.38 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 116.729 2.122 . . . . 0.0 116.729 -172.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 p -70.59 -22.62 62.54 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 44.59 45.71 7.98 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.546 1.938 . . . . 0.0 113.672 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -81.5 42.4 0.68 Allowed 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.5 m -117.66 160.42 21.32 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.972 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.89 -46.1 79.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.385 166.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 70.9 mtm180 -108.8 120.46 42.55 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.61 1.194 . . . . 0.0 109.244 163.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.0 p -36.7 149.63 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 112.465 -2.152 . . . . 0.0 116.073 -168.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 9.9 t -75.43 121.02 21.67 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 112.845 -1.98 . . . . 0.0 108.981 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.488 ' HA ' HD23 ' A' ' 21' ' ' HYP . 60.5 t-20 -63.27 116.23 5.28 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 174.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HYP . . . . . 0.488 HD23 ' HA ' ' A' ' 20' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -71.39 -37.25 71.58 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 25' ' ' ARG . 81.7 p -104.14 -13.38 16.26 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -173.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 66.53 30.4 8.55 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 123.052 1.406 . . . . 0.0 112.315 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 23' ' ' THR . 23.3 mtm180 -136.68 135.29 38.08 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.56 -172.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.9 m -63.25 134.58 56.11 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.075 0.95 . . . . 0.0 113.429 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 39.4 m-85 -65.5 139.36 58.48 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 125.308 2.48 . . . . 0.0 111.35 172.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.907 0 O-C-N 119.265 -2.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.649 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 56.0 mmtt -90.6 140.37 29.82 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.484 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -55.97 150.95 12.59 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 113.667 -1.606 . . . . 0.0 113.068 -173.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.18 -29.94 11.09 Favored Glycine 0 N--CA 1.477 1.428 0 CA-C-N 114.403 -1.272 . . . . 0.0 115.229 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.649 ' OG ' ' HB3' ' A' ' 2' ' ' LYS . 60.5 p -70.17 161.55 30.02 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.6 p -67.93 143.93 55.44 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 114.498 -1.228 . . . . 0.0 113.508 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.2 p -159.6 158.37 31.51 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.858 -1.519 . . . . 0.0 112.016 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -103.6 149.05 25.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 113.074 -1.876 . . . . 0.0 111.735 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.415 ' HA ' ' OD1' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p -99.24 -8.05 25.57 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -138.99 96.69 3.16 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 122.562 1.172 . . . . 0.0 109.754 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -78.94 56.72 2.0 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 113.359 -1.746 . . . . 0.0 110.501 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -74.13 37.64 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.772 1.629 . . . . 0.0 114.985 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.8 m -122.97 144.51 49.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 113.648 -1.614 . . . . 0.0 112.612 -170.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.95 -46.47 90.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 112.612 -2.085 . . . . 0.0 111.378 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 71.7 mtm180 -115.51 119.35 35.9 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 161.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.7 p -22.17 152.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 -169.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 t -65.78 142.9 57.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.577 -0.702 . . . . 0.0 110.904 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -96.11 107.55 19.87 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 158.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HYP . . . . . 0.415 ' OD1' ' HA ' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -78.79 -30.54 45.57 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -169.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.7 p -88.63 -23.77 22.98 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm 67.79 23.73 8.44 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.206 2.202 . . . . 0.0 112.001 -168.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -123.13 146.53 47.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.054 1.342 . . . . 0.0 110.963 -177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.6 m -63.29 137.33 58.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.038 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 25.5 m-85 -66.82 171.79 4.97 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.954 1.359 . . . . 0.0 110.998 171.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.166 0 O-C-N 120.475 -1.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.553 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 8.4 mmmm -71.29 111.28 6.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.292 -1.776 . . . . 0.0 111.89 175.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.405 ' HA ' HD23 ' A' ' 4' ' ' HYP . 23.3 t -43.03 135.93 2.96 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 112.441 -2.163 . . . . 0.0 111.94 176.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.467 HD23 ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.85 -31.44 8.68 Favored Glycine 0 N--CA 1.481 1.697 0 CA-C-N 114.761 -1.109 . . . . 0.0 113.289 -172.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.553 ' OG ' ' HB3' ' A' ' 2' ' ' LYS . 99.6 p -62.17 167.42 4.04 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.573 0.701 . . . . 0.0 112.058 174.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.0 t -90.86 148.62 22.37 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.991 -172.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.5 159.65 44.06 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -94.96 147.53 23.29 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 111.42 -2.627 . . . . 0.0 111.896 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 p -79.69 -25.79 41.13 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -127.19 93.7 3.81 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -171.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -71.38 64.41 0.4 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 123.152 1.453 . . . . 0.0 107.642 171.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -78.11 35.36 0.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 113.881 -1.508 . . . . 0.0 114.783 -171.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.4 m -126.94 154.19 44.85 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.669 -162.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.467 ' HB2' HD23 ' A' ' 4' ' ' HYP . 67.9 m -66.69 -46.59 75.11 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 113.073 -1.876 . . . . 0.0 111.704 174.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -117.08 120.81 39.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.647 0.592 . . . . 0.0 112.192 153.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.7 t -8.69 144.8 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 130.426 3.49 . . . . 0.0 118.149 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.5 139.32 58.48 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.423 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -94.96 105.77 17.71 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 158.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -50.69 -44.84 57.96 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 113.202 -1.817 . . . . 0.0 114.185 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.1 p -111.44 -0.68 16.18 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm 56.45 24.47 8.56 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.887 1.675 . . . . 0.0 114.008 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -117.01 144.79 44.19 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 122.244 1.021 . . . . 0.0 110.787 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.7 m -68.42 130.66 43.53 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 113.506 -1.679 . . . . 0.0 110.706 171.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -66.51 155.06 38.71 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 123.536 1.636 . . . . 0.0 113.107 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 O-C-N 120.176 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.28 116.19 5.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 113.595 -1.639 . . . . 0.0 113.185 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.405 ' HA ' HD23 ' A' ' 4' ' ' HYP . 10.1 p -46.46 129.63 10.78 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 111.519 -2.582 . . . . 0.0 112.114 171.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.416 ' HB2' ' O ' ' A' ' 27' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.66 -54.26 0.69 Allowed Glycine 0 N--CA 1.479 1.557 0 C-N-CA 124.801 1.191 . . . . 0.0 112.057 -166.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -52.43 128.8 26.79 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.357 1.463 . . . . 0.0 113.51 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.2 m -57.25 133.47 55.11 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 p -145.57 162.27 37.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 128.594 2.758 . . . . 0.0 109.371 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' A' ' 12' ' ' SER . 15.6 t -95.97 155.91 16.55 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 176.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.421 HD23 ' HG2' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -94.91 29.2 2.45 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.607 0.763 . . . . 0.0 111.198 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.445 ' HB2' ' H ' ' A' ' 9' ' ' SER . 13.0 m -154.39 90.68 1.35 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 123.108 1.432 . . . . 0.0 110.47 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -90.92 37.95 0.94 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 113.646 -1.615 . . . . 0.0 113.951 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -87.57 39.73 0.89 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 76.8 m -117.53 154.18 31.93 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 113.657 -1.61 . . . . 0.0 110.72 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m -68.53 -39.54 81.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 73.1 mtp180 -119.44 107.4 13.29 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 153.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.0 m -1.77 151.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 118.775 2.88 . . . . 0.0 118.775 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -63.22 127.11 29.77 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.526 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -80.28 94.05 6.02 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -54.71 -50.22 68.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.43 1.092 . . . . 0.0 113.072 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -99.81 -3.36 32.81 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HG2' HD23 ' A' ' 10' ' ' HYP . 58.8 mttp 54.12 39.46 30.69 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.74 1.216 . . . . 0.0 112.591 -175.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -135.63 135.08 39.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.319 1.048 . . . . 0.0 108.871 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.0 m -60.46 129.21 40.45 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.793 0.683 . . . . 0.0 111.903 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.57 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 19.8 m-85 -60.23 146.97 41.74 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.253 1.021 . . . . 0.0 110.524 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.826 0 O-C-N 120.475 -1.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -82.82 115.07 21.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 122.617 1.199 . . . . 0.0 112.258 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -46.72 128.21 10.44 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 113.155 -1.839 . . . . 0.0 111.731 171.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.636 HD23 ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.22 -42.78 1.87 Allowed Glycine 0 CA--C 1.541 1.703 0 CA-C-N 113.271 -1.786 . . . . 0.0 112.018 -167.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -55.99 152.76 9.76 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -172.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.5 p -77.01 127.94 33.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.676 1.19 . . . . 0.0 113.948 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.8 157.29 45.37 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.835 2.054 . . . . 0.0 111.505 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 t -82.0 147.86 28.97 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t -92.89 -5.88 49.89 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.2 p -108.99 88.45 2.73 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.255 1.026 . . . . 0.0 109.089 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -75.36 49.25 0.46 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 112.803 -1.999 . . . . 0.0 112.825 171.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.748 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.0 OUTLIER -96.0 44.5 1.08 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 113.42 -1.718 . . . . 0.0 112.34 -172.677 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.3 m -122.61 148.95 44.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 112.211 -2.268 . . . . 0.0 109.818 -173.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.636 ' HB2' HD23 ' A' ' 4' ' ' HYP . 67.8 m -61.27 -32.25 72.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.659 174.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -131.97 99.58 4.79 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.631 0.773 . . . . 0.0 110.684 157.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' HD2' ' A' ' 27' ' ' TYR . 33.8 p 21.75 139.85 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 118.897 2.925 . . . . 0.0 118.897 168.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.83 139.22 56.56 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 122.047 0.927 . . . . 0.0 110.115 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.405 ' HA ' HD23 ' A' ' 21' ' ' HYP . 42.1 t-20 -96.17 107.86 20.24 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 103.925 -2.62 . . . . 0.0 103.925 162.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HYP . . . . . 0.405 HD23 ' HA ' ' A' ' 20' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -60.28 -55.12 37.53 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.114 -1.403 . . . . 0.0 110.048 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.8 p -84.31 -5.66 59.29 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.25 -1.341 . . . . 0.0 114.55 -174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm 56.44 25.77 10.03 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.433 1.493 . . . . 0.0 112.843 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -125.69 150.5 47.59 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -175.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.7 m -71.16 126.1 28.69 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.379 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HD2' ' OG ' ' A' ' 18' ' ' SER . 4.5 m-85 -56.36 148.57 18.55 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-O 123.211 1.482 . . . . 0.0 113.198 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.107 0 O-C-N 120.683 -1.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -83.37 124.78 30.99 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.829 163.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 p -57.16 139.72 51.67 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.867 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.89 -28.55 9.26 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-N 113.189 -1.823 . . . . 0.0 114.641 -169.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -62.22 141.68 58.08 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 p -71.67 122.3 20.35 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.315 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 p -146.05 155.22 42.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.915 1.686 . . . . 0.0 111.472 -169.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 t -82.2 147.05 29.2 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 113.234 -1.803 . . . . 0.0 111.762 171.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.3 p -66.84 -17.75 65.04 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.22 79.76 1.83 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.939 0.876 . . . . 0.0 109.791 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CD1' ' HB3' ' A' ' 19' ' ' CYS . 44.8 m-85 -75.88 39.54 0.18 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -89.42 52.26 2.31 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.876 1.322 . . . . 0.0 112.982 -176.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.8 m -105.74 158.32 16.81 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.562 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.33 -49.06 79.1 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.488 167.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.586 ' NH1' ' H ' ' A' ' 18' ' ' SER . 10.5 mmm180 -119.98 137.85 53.83 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.274 0.984 . . . . 0.0 111.916 162.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.586 ' H ' ' NH1' ' A' ' 17' ' ' ARG . 33.0 t -43.28 146.73 0.43 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 -160.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 13' ' ' TYR . 43.8 t -68.19 132.13 46.61 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.441 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -96.53 111.05 23.32 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 113.161 -1.836 . . . . 0.0 108.772 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -62.05 -36.61 82.14 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -175.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.4 p -108.26 -9.64 15.48 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm 61.36 23.35 13.6 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.569 1.948 . . . . 0.0 113.06 -169.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -117.18 150.97 37.85 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.498 1.119 . . . . 0.0 112.4 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 82.1 m -66.71 136.72 55.95 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.56 1.144 . . . . 0.0 111.808 172.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' O ' ' HB2' ' A' ' 4' ' ' HYP . 2.3 m-30 -56.16 147.79 19.66 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 123.158 1.456 . . . . 0.0 113.799 178.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.183 0 O-C-N 120.44 -1.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -53.76 -9.7 0.24 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m 63.83 140.68 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 125.655 1.582 . . . . 0.0 112.844 -163.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.412 ' HB2' ' O ' ' A' ' 27' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 95.17 -30.06 8.63 Favored Glycine 0 CA--C 1.544 1.845 0 C-N-CA 125.705 1.621 . . . . 0.0 113.096 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -54.32 135.03 45.28 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -176.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -66.38 116.29 7.23 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 113.307 -1.769 . . . . 0.0 108.816 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -141.82 152.31 43.58 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 112.883 -1.962 . . . . 0.0 110.197 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 p -76.9 147.43 37.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.245 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.512 HD23 ' HG2' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -30.76 70.81 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 14' ' ' ASN . 69.2 p -93.68 68.88 4.03 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 123.125 1.44 . . . . 0.0 109.496 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -67.94 25.93 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 111.469 -2.605 . . . . 0.0 114.525 170.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 12' ' ' SER . 30.7 p-10 -91.6 43.66 1.15 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.106 -1.406 . . . . 0.0 112.622 -175.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 m -109.46 154.79 22.14 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.875 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.5 m -58.27 -39.85 80.31 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.55 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 71.1 mtt85 -119.5 119.68 34.56 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 161.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.4 158.26 0.61 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -162.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 25.2 t -72.52 116.24 12.75 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.331 1.053 . . . . 0.0 112.645 -173.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -75.53 109.54 9.17 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -54.9 -44.16 73.9 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.823 1.649 . . . . 0.0 113.449 -178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -97.73 -10.49 24.81 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HG2' HD23 ' A' ' 10' ' ' HYP . 7.7 mtpm? 52.13 38.84 25.36 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.546 1.938 . . . . 0.0 114.226 -168.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -133.69 142.8 48.17 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.147 1.379 . . . . 0.0 112.615 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 97.5 m -64.69 126.67 28.65 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.074 1.35 . . . . 0.0 110.905 176.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 26.2 m-85 -60.02 149.19 32.93 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 122.459 1.124 . . . . 0.0 113.517 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.514 0 O-C-N 120.5 -1.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -62.65 115.97 4.77 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 123.125 1.44 . . . . 0.0 114.388 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -39.85 144.08 0.21 Allowed 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 111.099 -2.773 . . . . 0.0 113.107 170.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.492 ' HD1' ' N ' ' A' ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.91 -19.61 24.61 Favored Glycine 0 CA--C 1.545 1.922 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -65.99 151.44 46.81 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 117.547 0.674 . . . . 0.0 111.791 175.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -82.44 138.95 34.25 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.23 -176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.0 p -148.47 157.77 43.69 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 112.915 -1.948 . . . . 0.0 111.118 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -93.17 148.63 21.86 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 113.043 -1.889 . . . . 0.0 112.798 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p -118.36 27.58 8.87 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.92 0.888 . . . . 0.0 113.004 170.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -152.67 85.38 1.24 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.566 1.146 . . . . 0.0 107.926 173.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -82.01 51.84 1.84 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.994 -1.457 . . . . 0.0 109.623 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.543 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.0 OUTLIER -85.86 29.67 0.7 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 113.885 -1.507 . . . . 0.0 114.826 -171.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.0 m -110.26 154.33 23.59 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.865 -174.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -55.92 -50.69 70.01 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.044 -1.434 . . . . 0.0 112.902 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 1.7 mpt_? -111.0 41.64 1.78 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 174.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t 65.74 163.65 0.16 Allowed 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 125.897 1.679 . . . . 0.0 113.042 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 t -83.52 146.14 28.52 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.773 0.829 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -105.84 109.5 21.47 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.995 168.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -65.92 -27.61 68.31 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.757 -1.111 . . . . 0.0 113.886 -175.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -112.29 -7.09 14.02 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm 55.71 25.86 8.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.125 1.77 . . . . 0.0 113.659 -169.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -131.9 148.34 52.53 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.094 0.949 . . . . 0.0 113.346 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.29 139.62 58.78 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 113.945 -1.479 . . . . 0.0 112.463 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 95.8 m-85 -80.47 150.16 29.8 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 123.704 1.716 . . . . 0.0 110.679 170.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . 0.492 ' N ' ' HD1' ' A' ' 4' ' ' HYP . . . . . . . . 0 C--N 1.301 -1.524 0 O-C-N 120.74 -1.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 87.9 mttt -75.79 129.6 37.3 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.909 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -47.52 135.26 11.31 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 113.582 -1.644 . . . . 0.0 113.074 173.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.07 -37.25 3.91 Favored Glycine 0 CA--C 1.543 1.786 0 O-C-N 124.579 1.174 . . . . 0.0 115.719 -173.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.433 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 29.7 m -54.79 156.21 3.8 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -170.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 p -74.53 120.84 20.64 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.066 -1.424 . . . . 0.0 112.739 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.1 p -144.19 155.49 43.92 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 112.568 -2.105 . . . . 0.0 111.334 -171.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.468 ' HB3' ' OG ' ' A' ' 12' ' ' SER . 29.5 t -81.84 139.86 34.49 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 113.382 -1.735 . . . . 0.0 110.589 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.518 ' OD1' ' HA ' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -60.4 -32.28 71.17 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 -174.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.468 ' OG ' ' HB3' ' A' ' 9' ' ' SER . 7.4 p -82.03 -28.91 32.25 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.461 ' HE1' HD23 ' A' ' 21' ' ' HYP . 64.9 m-85 41.51 40.39 1.32 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.443 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 16.8 p-10 -82.05 36.36 0.46 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -164.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.7 m -117.85 153.62 33.2 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 125.883 1.673 . . . . 0.0 112.802 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.82 -41.28 95.4 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 113.292 -1.776 . . . . 0.0 111.641 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 84.7 mtm180 -120.4 90.44 3.33 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 153.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 t 16.67 148.58 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 108.476 -3.965 . . . . 0.0 116.818 164.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -83.9 151.92 24.82 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.558 -173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.42 ' HA ' HD22 ' A' ' 21' ' ' HYP . 42.7 t-20 -87.62 111.88 21.72 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 113.611 -1.631 . . . . 0.0 110.605 170.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HYP . . . . . 0.518 ' HA ' ' OD1' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -78.72 -60.82 2.22 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.4 p -105.68 20.09 19.49 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 118.321 2.712 . . . . 0.0 118.321 -174.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt 51.17 34.61 11.52 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.045 1.738 . . . . 0.0 112.561 171.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -133.63 143.07 48.38 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.878 -1.51 . . . . 0.0 111.515 -173.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 65.1 m -64.79 137.48 57.81 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.302 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.417 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 20.8 m-85 -72.24 149.76 44.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 123.337 1.541 . . . . 0.0 110.171 171.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.575 0 O-C-N 119.444 -2.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.554 1.117 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -66.81 104.05 1.25 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 113.903 -1.499 . . . . 0.0 113.017 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -28.26 143.76 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 112.98 -1.918 . . . . 0.0 113.915 168.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.447 HD23 ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.59 -29.0 8.96 Favored Glycine 0 N--CA 1.485 1.9 0 CA-C-N 114.624 -1.171 . . . . 0.0 114.682 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m -62.78 137.16 58.2 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.8 m -55.69 133.23 50.6 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 122.884 1.326 . . . . 0.0 113.247 168.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -150.49 167.01 28.43 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 126.443 1.897 . . . . 0.0 110.435 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -106.11 152.4 23.47 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.043 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.473 ' OD1' ' HA ' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p -80.88 -21.69 40.43 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 169.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.9 p -118.21 94.33 4.45 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 123.643 1.687 . . . . 0.0 111.731 -170.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.82 46.06 0.75 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 112.216 -2.265 . . . . 0.0 111.869 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.55 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.4 OUTLIER -87.03 35.44 0.69 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 113.337 -1.756 . . . . 0.0 113.702 -171.381 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.7 m -116.13 156.46 26.42 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 112.496 -2.138 . . . . 0.0 111.856 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' HB2' HD23 ' A' ' 4' ' ' HYP . 73.3 m -62.9 -48.8 77.38 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 114.218 -1.356 . . . . 0.0 111.781 171.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -118.54 110.45 17.39 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 158.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 m -8.9 154.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.5 t -71.65 137.22 47.72 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.494 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -99.57 110.59 23.02 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.461 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HYP . . . . . 0.473 ' HA ' ' OD1' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -54.92 -44.62 74.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.124 1.37 . . . . 0.0 113.356 -176.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.4 p -106.93 -7.74 16.91 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm 41.14 37.72 0.62 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.178 1.791 . . . . 0.0 114.939 -163.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -135.43 136.99 41.79 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 111.86 -2.427 . . . . 0.0 110.045 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.1 m -54.67 140.68 34.76 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.418 1.087 . . . . 0.0 111.833 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -66.4 167.33 10.75 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 123.509 1.623 . . . . 0.0 110.82 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.084 0 O-C-N 120.688 -1.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -82.55 122.39 28.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.686 0.755 . . . . 0.0 111.616 169.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 m -47.44 133.22 12.99 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 112.797 -2.002 . . . . 0.0 111.395 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.418 ' O ' ' HD2' ' A' ' 25' ' ' ARG . . . 108.71 -38.58 3.26 Favored Glycine 0 N--CA 1.483 1.776 0 O-C-N 124.603 1.189 . . . . 0.0 114.051 -168.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -61.52 151.2 33.61 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -171.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.479 ' HA ' ' HD3' ' A' ' 25' ' ' ARG . 9.7 m -65.41 122.95 18.34 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 114.078 -1.419 . . . . 0.0 112.215 174.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.4 p -142.39 168.49 19.6 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 113.353 -1.749 . . . . 0.0 112.814 -170.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.564 ' H ' HD22 ' A' ' 14' ' ' ASN . 30.2 t -95.25 118.54 32.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 112.125 -2.307 . . . . 0.0 112.168 -178.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -75.86 -13.77 60.28 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -105.8 -25.3 12.24 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -175.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 43.1 m-85 48.82 44.01 21.61 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -175.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.565 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.1 OUTLIER -85.12 39.07 0.75 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -167.394 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.9 m -120.59 155.79 32.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.766 2.026 . . . . 0.0 107.918 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.16 -40.7 86.43 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 171.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 75.5 mtp180 -111.95 36.1 3.45 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 174.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.4 t 66.7 167.22 0.22 Allowed 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' H ' ' HD1' ' A' ' 13' ' ' TYR . 33.2 t -109.17 123.58 49.45 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.583 1.553 . . . . 0.0 112.331 -173.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -72.33 112.9 8.81 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.944 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -57.86 -45.27 86.55 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.5 p -95.21 -17.67 21.53 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -172.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 62.66 30.01 16.89 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 125.273 1.429 . . . . 0.0 111.665 -167.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 67.5 mmt-85 -127.99 138.72 52.71 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.153 0.501 . . . . 0.0 112.182 -173.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.78 138.13 58.31 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.511 1.125 . . . . 0.0 112.231 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 81.5 m-85 -72.52 151.67 42.33 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 123.177 1.465 . . . . 0.0 111.159 175.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.096 0 O-C-N 120.32 -1.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -67.43 116.47 8.21 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.315 172.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 p -35.85 132.31 0.49 Allowed 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 111.871 -2.422 . . . . 0.0 113.187 170.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.418 HD23 ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.05 -37.35 3.72 Favored Glycine 0 CA--C 1.538 1.479 0 O-C-N 124.682 1.239 . . . . 0.0 112.913 -172.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -56.64 139.4 50.27 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.6 m -56.37 116.6 3.17 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 113.323 -1.762 . . . . 0.0 114.436 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.8 p -127.94 -179.93 5.23 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 112.176 -2.284 . . . . 0.0 109.769 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -123.56 150.01 44.56 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.743 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.558 ' HB2' ' HB2' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.3 p -97.16 -13.85 21.84 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 170.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.2 p -139.49 97.99 3.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 122.954 1.359 . . . . 0.0 110.807 -174.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.35 48.56 1.16 Allowed 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.288 175.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -90.53 46.7 1.36 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 112.724 -2.035 . . . . 0.0 112.085 -168.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.4 m -122.81 151.7 41.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 112.902 -1.954 . . . . 0.0 110.74 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' HB2' HD23 ' A' ' 4' ' ' HYP . 58.8 m -62.12 -43.44 98.83 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.244 -1.344 . . . . 0.0 111.946 174.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 33.0 mtp180 -117.8 121.67 41.38 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 157.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 p -18.29 148.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 128.125 2.57 . . . . 0.0 116.929 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.97 140.03 55.04 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.504 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -91.41 112.4 24.29 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 161.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HYP . . . . . 0.558 ' HB2' ' HB2' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -58.32 -45.43 88.06 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.1 p -106.63 5.78 29.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm 59.97 30.95 20.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.053 1.741 . . . . 0.0 114.353 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.4 mtm-85 -130.33 147.83 52.09 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.926 -173.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.7 m -67.83 136.99 54.97 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.731 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 21.2 m-85 -72.75 152.02 41.83 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 123.276 1.513 . . . . 0.0 111.758 174.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.43 133.29 45.81 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.362 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -60.25 128.71 38.09 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.027 1.331 . . . . 0.0 112.642 177.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.94 -41.12 2.23 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 114.883 -1.053 . . . . 0.0 113.193 -168.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -53.77 148.26 10.37 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.865 0.833 . . . . 0.0 113.193 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.2 p -75.26 139.22 42.4 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 113.513 -1.676 . . . . 0.0 112.961 -173.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -155.64 157.76 37.23 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.4 -1.727 . . . . 0.0 112.407 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 t -95.88 156.31 16.39 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 112.433 -2.167 . . . . 0.0 109.716 172.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 p -68.25 -8.42 39.11 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 178.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 p -117.51 73.27 0.87 Allowed 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.847 1.308 . . . . 0.0 110.828 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.92 37.01 0.08 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -97.71 37.33 1.4 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.515 1.526 . . . . 0.0 114.783 -169.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB2' ' C ' ' A' ' 18' ' ' SER . 78.8 m -106.18 160.52 15.27 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 112.621 -2.081 . . . . 0.0 109.938 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -60.51 -43.97 96.52 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -109.12 26.01 11.12 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.656 172.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.405 ' C ' ' HB2' ' A' ' 15' ' ' CYS . 2.3 t 67.62 177.41 0.24 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.54 2.336 . . . . 0.0 113.659 -174.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.0 t -102.2 135.37 43.92 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.838 1.655 . . . . 0.0 108.803 -171.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -96.37 111.24 23.4 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 117.74 0.246 . . . . 0.0 111.358 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -58.98 -35.2 72.8 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.5 p -111.22 -5.61 14.68 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm 50.37 27.85 2.96 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.731 1.613 . . . . 0.0 113.882 -166.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -135.31 144.34 46.67 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.226 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.9 m -57.96 135.63 56.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.194 -1.367 . . . . 0.0 110.529 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -60.78 139.26 57.98 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.069 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 121.404 -0.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.634 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 15.4 mttp -91.2 116.7 29.03 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.321 160.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -45.77 147.85 0.87 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 112.316 -2.22 . . . . 0.0 112.115 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.496 ' O ' ' HD2' ' A' ' 25' ' ' ARG . . . 88.96 -15.44 57.85 Favored Glycine 0 CA--C 1.543 1.785 0 N-CA-C 115.412 0.925 . . . . 0.0 115.412 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.634 ' OG ' ' HB3' ' A' ' 2' ' ' LYS . 92.7 p -77.58 151.15 34.59 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.669 0.788 . . . . 0.0 112.369 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 25' ' ' ARG . 7.8 t -72.62 123.23 22.81 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -169.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.0 p -135.25 156.1 49.53 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 112.92 -1.945 . . . . 0.0 112.064 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.407 ' HA ' HD22 ' A' ' 10' ' ' HYP . 28.9 t -90.07 146.27 24.45 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.205 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.555 ' HB2' ' HB2' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -115.5 -14.82 11.52 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 168.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -89.35 -53.13 4.69 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.429 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 95.4 m-85 57.98 29.25 17.39 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 176.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.827 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.0 OUTLIER -84.14 42.35 0.87 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.312 1.845 . . . . 0.0 114.547 -174.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -120.69 148.7 43.59 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.087 -1.415 . . . . 0.0 110.905 -175.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.3 m -60.16 -42.97 96.06 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 68.8 mtm-85 -113.83 123.56 50.11 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 160.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.1 t -10.57 154.21 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.798 2.839 . . . . 0.0 118.3 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.429 ' HB2' ' HA ' ' A' ' 13' ' ' TYR . 11.5 t -75.55 147.81 39.39 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -104.36 110.11 22.23 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 161.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HYP . . . . . 0.555 ' HB2' ' HB2' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -61.29 -49.59 76.44 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.876 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 t -92.6 2.07 56.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm 55.31 38.42 30.33 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.016 1.726 . . . . 0.0 113.291 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 5' ' ' GLY . 16.4 mmt180 -147.52 147.07 29.75 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.036 0.934 . . . . 0.0 111.828 -167.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.42 ' HB2' ' H ' ' A' ' 5' ' ' GLY . 66.4 m -69.69 139.2 53.42 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.264 176.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.596 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 32.6 m-85 -70.34 150.24 46.52 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.35 1.072 . . . . 0.0 111.092 172.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.798 -1.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 115.373 1.619 . . . . 0.0 115.373 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -55.87 137.7 49.82 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.45 1.5 . . . . 0.0 112.846 173.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -67.04 145.02 55.81 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.243 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.71 -39.29 2.84 Favored Glycine 0 CA--C 1.551 2.339 0 CA-C-N 114.562 -1.199 . . . . 0.0 113.542 -171.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -58.9 143.77 46.76 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -172.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.9 p -71.67 129.52 38.89 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 113.531 -1.668 . . . . 0.0 110.522 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -155.89 156.96 35.54 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.647 -170.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t -84.45 143.64 29.27 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 111.151 -2.75 . . . . 0.0 111.379 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.3 p -106.78 -3.03 20.88 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 167.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 p -121.45 77.89 1.38 Allowed 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -69.14 41.05 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.974 -1.079 . . . . 0.0 113.465 172.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -81.74 36.21 0.43 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.862 1.665 . . . . 0.0 114.538 -173.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.1 m -120.67 153.23 37.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.498 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.8 m -58.96 -46.57 87.73 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.449 -1.25 . . . . 0.0 112.976 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 73.6 mtp180 -106.24 31.75 4.92 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 174.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 t 67.65 169.59 0.26 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.514 2.326 . . . . 0.0 112.949 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 41.9 t -93.47 137.57 32.62 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.803 1.241 . . . . 0.0 110.205 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -86.05 115.43 23.64 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.742 0.817 . . . . 0.0 110.083 171.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -56.37 -51.64 67.54 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -99.78 1.9 43.59 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp 59.32 33.14 22.38 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.397 1.479 . . . . 0.0 114.811 -175.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.66 150.47 48.52 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.612 -169.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 80.9 m -65.66 132.65 49.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 176.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 63.0 m-85 -64.75 164.39 12.27 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 123.595 1.664 . . . . 0.0 109.553 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.032 0 O-C-N 119.3 -2.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.484 1.225 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.593 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 73.0 mttt -66.19 149.57 50.12 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 122.405 1.097 . . . . 0.0 111.82 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p -58.56 140.89 53.53 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 113.92 -1.491 . . . . 0.0 114.084 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.07 -28.36 13.12 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 125.01 1.291 . . . . 0.0 113.821 -174.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -63.0 155.23 28.12 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 p -79.06 124.79 28.63 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 113.742 -1.572 . . . . 0.0 112.61 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 p -140.61 168.17 20.43 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 112.338 -2.21 . . . . 0.0 112.428 -170.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -100.05 131.21 46.14 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.236 167.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.5 p -56.88 -26.21 58.39 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 p -103.85 -28.34 11.67 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 49.75 42.31 23.47 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.548 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.9 OUTLIER -89.2 42.99 1.12 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 112.808 -1.996 . . . . 0.0 115.542 -161.646 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 1.0 OUTLIER -126.87 153.9 45.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 112.533 -2.121 . . . . 0.0 111.968 178.053 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.1 m -58.57 -36.6 74.2 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.363 -1.29 . . . . 0.0 114.064 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 10.9 mtp180 -110.65 30.18 7.05 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 167.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t 61.52 171.53 0.11 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.981 1.713 . . . . 0.0 113.983 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.1 t -108.23 122.77 47.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.757 1.623 . . . . 0.0 112.441 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -66.6 118.52 10.3 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.702 0.801 . . . . 0.0 112.165 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -61.15 -30.96 70.7 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.8 p -118.99 -12.46 9.53 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.3 mttt 57.23 25.73 11.4 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -165.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 -122.45 146.74 47.09 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.613 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.3 m -73.59 136.88 44.0 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -174.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 68.5 m-85 -62.69 153.37 32.7 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 112.827 -1.988 . . . . 0.0 110.111 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.911 0 O-C-N 119.991 -1.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.0 p . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -67.15 131.88 46.69 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.79 0.805 . . . . 0.0 109.64 176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -56.3 135.35 53.68 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 113.985 -1.461 . . . . 0.0 112.245 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.414 ' HA ' ' HB2' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.19 -26.04 20.06 Favored Glycine 0 CA--C 1.545 1.93 0 CA-C-N 113.686 -1.597 . . . . 0.0 115.47 -169.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -73.58 148.87 42.54 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -176.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 p -70.75 114.63 9.02 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 113.762 -1.563 . . . . 0.0 114.59 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -132.01 165.16 24.59 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 111.955 -2.384 . . . . 0.0 113.61 -171.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.0 t -105.59 145.42 31.01 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 113.749 -1.568 . . . . 0.0 110.655 170.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.5 p -78.08 -10.72 59.75 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 p -107.74 -27.05 10.52 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 172.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 24.9 m-85 33.55 36.32 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -171.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.904 ' H ' HD21 ' A' ' 14' ' ' ASN . 0.0 OUTLIER -76.0 30.79 0.11 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.233 2.613 . . . . 0.0 117.121 -169.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -109.31 147.86 31.98 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 128.013 2.525 . . . . 0.0 111.389 -171.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.8 m -61.1 -38.71 87.26 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 112.855 -1.975 . . . . 0.0 111.746 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -128.98 120.47 26.12 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 158.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 m -15.29 154.25 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 128.63 2.772 . . . . 0.0 118.435 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.463 ' O ' HD23 ' A' ' 21' ' ' HYP . 42.6 t -82.65 125.9 31.73 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.106 -173.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -75.22 114.57 13.88 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.939 1.399 . . . . 0.0 108.51 172.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HYP . . . . . 0.463 HD23 ' O ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -53.96 -49.38 68.89 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -172.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -109.01 7.12 25.69 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm 53.71 36.21 23.2 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.53 1.532 . . . . 0.0 114.28 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 mtt85 -135.24 145.4 47.59 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.064 -173.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 4' ' ' HYP . 79.0 m -64.28 135.96 56.72 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.785 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -68.98 155.44 40.33 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 124.006 1.86 . . . . 0.0 111.895 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.536 0 O-C-N 119.953 -1.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HE3' ' HB3' ' A' ' 14' ' ' ASN . 10.4 mtmp? -80.46 133.4 35.85 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.522 176.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -54.87 143.2 26.67 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 114.284 -1.325 . . . . 0.0 113.344 -176.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.411 HD23 ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.43 -38.68 3.14 Favored Glycine 0 N--CA 1.483 1.805 0 CA-C-N 113.565 -1.652 . . . . 0.0 113.996 -165.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -61.39 137.35 58.24 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.999 0.904 . . . . 0.0 112.617 -177.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.2 m -55.75 146.51 21.14 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.086 -1.87 . . . . 0.0 113.165 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.558 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 20.6 p -165.9 145.83 6.41 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 113.378 -1.737 . . . . 0.0 110.061 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -79.49 168.92 18.79 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.011 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HYP . . . . . 0.51 HD23 ' HG2' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 t -100.41 -9.96 21.66 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -102.57 67.75 1.02 Allowed 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 122.267 1.032 . . . . 0.0 109.28 -171.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -75.71 43.92 0.27 Allowed 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 113.864 -1.517 . . . . 0.0 112.256 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.581 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 12.3 t-20 -97.9 35.14 1.76 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.117 -1.856 . . . . 0.0 109.624 -174.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 92.5 m -116.67 149.15 40.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 113.875 -1.512 . . . . 0.0 111.384 -169.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB2' HD23 ' A' ' 4' ' ' HYP . 67.3 m -55.88 -45.99 78.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.802 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 81.7 mtm180 -117.22 40.69 2.96 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 168.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t 62.39 162.29 0.09 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.357 1.463 . . . . 0.0 113.47 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.7 t -85.43 136.36 33.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.189 0.996 . . . . 0.0 109.822 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.467 ' OD1' ' HD2' ' A' ' 22' ' ' TYR . 65.3 t30 -83.54 105.58 14.58 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.677 163.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HD2' ' OD1' ' A' ' 20' ' ' ASN . 59.5 m-85 -59.15 -50.01 75.67 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 114.102 -1.408 . . . . 0.0 112.878 -175.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -107.77 1.95 23.29 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HG2' HD23 ' A' ' 10' ' ' HYP . 21.1 mtmm 56.86 41.77 27.46 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 174.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -137.77 151.61 48.33 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.763 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.3 m -67.3 134.64 51.95 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.5 0.72 . . . . 0.0 110.671 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 85.4 m-85 -67.94 142.99 55.84 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 122.899 1.333 . . . . 0.0 111.435 178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.116 0 O-C-N 119.436 -2.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.501 ' NZ ' HD22 ' A' ' 14' ' ' ASN . 11.8 mptt -68.12 134.28 50.3 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.053 0.93 . . . . 0.0 111.619 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -64.73 136.03 56.49 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 113.34 -1.755 . . . . 0.0 113.465 -175.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.96 -39.54 2.58 Favored Glycine 0 CA--C 1.546 1.97 0 O-C-N 124.425 1.078 . . . . 0.0 114.747 -168.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -68.98 158.99 33.6 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.0 m -72.84 129.92 39.26 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 122.915 1.34 . . . . 0.0 113.07 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 p -140.79 167.96 20.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 112.236 -2.256 . . . . 0.0 111.403 -171.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.53 125.89 51.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.91 177.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -73.38 6.55 2.85 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 173.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 p -143.91 -26.73 0.54 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 120.09 3.367 . . . . 0.0 120.09 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 57.5 m-85 55.8 44.64 25.76 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.88 1.672 . . . . 0.0 114.706 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.501 HD22 ' NZ ' ' A' ' 2' ' ' LYS . 12.3 p-10 -86.71 38.62 0.8 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 112.269 -2.241 . . . . 0.0 116.611 -166.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.5 m -107.52 159.15 16.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.161 -1.381 . . . . 0.0 108.394 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.8 m -57.55 -27.93 63.08 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -105.81 -79.23 0.56 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 160.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 m -160.23 157.69 28.65 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.632 1.173 . . . . 0.0 111.654 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' H ' ' HD1' ' A' ' 13' ' ' TYR . 22.3 t -89.81 136.7 32.89 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.01 0.819 . . . . 0.0 109.106 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -87.61 118.42 27.09 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.094 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -72.71 -26.26 61.53 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -172.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -122.48 -2.46 8.95 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.9 mttp 46.29 37.79 4.47 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 126.425 1.89 . . . . 0.0 113.899 -168.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -129.23 146.37 51.15 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 112.236 -2.257 . . . . 0.0 111.505 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.83 132.18 47.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.523 -1.217 . . . . 0.0 114.083 -174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -68.97 158.2 35.18 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.122 160.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.043 0 O-C-N 120.357 -1.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -68.6 124.47 23.69 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 123.046 1.403 . . . . 0.0 110.505 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -51.69 145.42 9.31 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 111.895 -2.411 . . . . 0.0 111.321 -175.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.36 -36.04 4.49 Favored Glycine 0 CA--C 1.538 1.499 0 CA-C-N 114.874 -1.057 . . . . 0.0 113.387 -172.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -59.75 146.05 42.91 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 122.166 0.984 . . . . 0.0 113.315 -172.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 p -68.99 124.42 23.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 112.921 -1.945 . . . . 0.0 112.229 170.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 p -115.1 -173.69 2.36 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.761 2.024 . . . . 0.0 111.532 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.886 ' H ' HD22 ' A' ' 14' ' ' ASN . 1.3 t -110.55 116.25 31.05 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 112.021 -2.354 . . . . 0.0 105.367 161.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 p -69.75 -25.37 63.79 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 m -84.64 -18.07 36.58 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 42.31 43.6 3.04 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.966 1.706 . . . . 0.0 114.77 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.886 HD22 ' H ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -75.63 31.62 0.11 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 117.953 2.575 . . . . 0.0 117.953 -171.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -121.59 148.8 44.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.767 1.627 . . . . 0.0 113.375 -174.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.7 m -55.23 -62.49 1.63 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.238 -1.346 . . . . 0.0 113.566 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 79.0 mtp180 -95.64 34.64 1.46 Allowed 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.5 0.667 . . . . 0.0 112.643 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t 63.54 162.94 0.11 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.861 1.664 . . . . 0.0 113.105 -176.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -107.55 142.15 37.9 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.129 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -76.48 112.7 13.29 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 113.317 -1.765 . . . . 0.0 110.367 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -68.92 -42.46 76.76 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.3 p -102.03 -13.88 17.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -168.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 64.45 21.44 12.47 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.765 1.626 . . . . 0.0 113.271 -170.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -116.75 136.75 52.71 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 122.307 1.051 . . . . 0.0 112.793 -172.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.0 m -61.43 137.19 58.23 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.136 174.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 47.6 m-85 -77.92 158.51 29.33 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.104 1.362 . . . . 0.0 111.46 176.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.202 0 O-C-N 120.254 -1.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 64.8 mttt -66.28 143.63 57.09 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 122.778 1.275 . . . . 0.0 109.412 177.671 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -58.44 136.91 57.59 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 113.887 -1.506 . . . . 0.0 111.524 172.101 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' HYP . . . . . 0.449 ' HB2' ' O ' ' A' ' 27' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.58 -37.72 3.65 Favored Glycine 0 CA--C 1.541 1.673 0 O-C-N 124.864 1.353 . . . . 0.0 112.263 -169.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -59.35 144.01 47.84 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.1 m -66.42 126.5 29.03 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.712 -1.586 . . . . 0.0 112.393 175.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.6 p -147.02 147.27 30.49 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 113.173 -1.83 . . . . 0.0 112.023 -173.084 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -79.8 154.2 28.62 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.936 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 p -67.75 -25.38 65.6 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 176.384 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -119.53 71.84 0.89 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.934 1.35 . . . . 0.0 110.088 -160.231 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -75.72 35.75 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 113.574 -1.648 . . . . 0.0 113.487 -178.281 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -81.68 47.69 1.1 Allowed 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 124.189 1.947 . . . . 0.0 115.073 -172.175 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 6.6 m -124.62 152.08 44.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 112.823 -1.989 . . . . 0.0 110.88 177.475 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -55.51 -36.65 66.92 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.409 -1.723 . . . . 0.0 113.1 -178.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 71.0 mmt-85 -117.86 37.72 3.87 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 168.304 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t 64.34 167.39 0.16 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.861 1.664 . . . . 0.0 113.726 173.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 t -92.01 149.26 21.62 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 122.812 1.291 . . . . 0.0 109.756 177.605 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -102.75 109.85 21.58 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.991 166.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -64.55 -61.79 1.99 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.575 1.15 . . . . 0.0 111.641 -174.622 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 p -66.84 -20.23 65.89 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm 60.68 22.77 12.64 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.777 2.031 . . . . 0.0 113.061 -169.32 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -127.77 157.93 39.04 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.321 1.449 . . . . 0.0 110.921 -177.175 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.7 m -83.5 140.88 32.03 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 73.4 m-85 -66.7 131.96 47.08 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 114.979 -1.01 . . . . 0.0 113.297 -173.409 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.254 0 O-C-N 121.626 -0.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.555 1.155 0 CA-C-O 120.994 0.426 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -97.39 135.74 38.85 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 122.784 1.278 . . . . 0.0 112.805 158.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.48 1.052 0 CA-C-N 111.958 -2.383 . . . . 0.0 112.857 171.556 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.763 0 N-CA-C 114.983 0.753 . . . . 0.0 114.983 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -71.76 142.15 49.73 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.4 m -60.63 104.58 0.35 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.324 2.25 . . . . 0.0 113.278 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 p -133.21 162.02 32.9 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.531 2.333 . . . . 0.0 112.086 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.471 0.62 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.685 172.352 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 p . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 116.729 2.122 . . . . 0.0 116.729 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 p -70.59 -22.62 62.54 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 44.59 45.71 7.98 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.546 1.938 . . . . 0.0 113.672 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -81.5 42.4 0.68 Allowed 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.5 m -117.66 160.42 21.32 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.972 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.89 -46.1 79.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.385 166.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 70.9 mtm180 -108.8 120.46 42.55 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.61 1.194 . . . . 0.0 109.244 163.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.0 p -36.7 149.63 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 112.465 -2.152 . . . . 0.0 116.073 -168.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 9.9 t -75.43 121.02 21.67 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 112.845 -1.98 . . . . 0.0 108.981 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 174.368 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 25' ' ' ARG . 81.7 p -104.14 -13.38 16.26 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -173.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 66.53 30.4 8.55 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 123.052 1.406 . . . . 0.0 112.315 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 23' ' ' THR . 23.3 mtm180 -136.68 135.29 38.08 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.56 -172.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.9 m -63.25 134.58 56.11 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.075 0.95 . . . . 0.0 113.429 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 39.4 m-85 . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 125.308 2.48 . . . . 0.0 111.35 172.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.649 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 56.0 mmtt -90.6 140.37 29.82 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.484 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 N--CA 1.471 0.621 0 CA-C-N 113.667 -1.606 . . . . 0.0 113.068 -173.196 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.428 0 N-CA-C 115.229 0.851 . . . . 0.0 115.229 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.649 ' OG ' ' HB3' ' A' ' 2' ' ' LYS . 60.5 p -70.17 161.55 30.02 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.6 p -67.93 143.93 55.44 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 114.498 -1.228 . . . . 0.0 113.508 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.2 p -159.6 158.37 31.51 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.858 -1.519 . . . . 0.0 112.016 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 113.074 -1.876 . . . . 0.0 111.735 -177.019 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p . . . . . 0 N--CA 1.485 1.28 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -138.99 96.69 3.16 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 122.562 1.172 . . . . 0.0 109.754 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -78.94 56.72 2.0 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 113.359 -1.746 . . . . 0.0 110.501 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -74.13 37.64 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.772 1.629 . . . . 0.0 114.985 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.8 m -122.97 144.51 49.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 113.648 -1.614 . . . . 0.0 112.612 -170.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.95 -46.47 90.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 112.612 -2.085 . . . . 0.0 111.378 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 71.7 mtm180 -115.51 119.35 35.9 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 161.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.7 p -22.17 152.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 -169.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 t -65.78 142.9 57.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.577 -0.702 . . . . 0.0 110.904 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 158.621 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.7 p -88.63 -23.77 22.98 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm 67.79 23.73 8.44 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.206 2.202 . . . . 0.0 112.001 -168.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -123.13 146.53 47.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.054 1.342 . . . . 0.0 110.963 -177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.6 m -63.29 137.33 58.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.038 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 25.5 m-85 . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 122.954 1.359 . . . . 0.0 110.998 171.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.553 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 8.4 mmmm -71.29 111.28 6.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.292 -1.776 . . . . 0.0 111.89 175.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.483 1.2 0 CA-C-N 112.441 -2.163 . . . . 0.0 111.94 176.728 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 CA-C-O 120.408 -0.107 . . . . 0.0 113.289 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.553 ' OG ' ' HB3' ' A' ' 2' ' ' LYS . 99.6 p -62.17 167.42 4.04 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.573 0.701 . . . . 0.0 112.058 174.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.0 t -90.86 148.62 22.37 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.991 -172.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.5 159.65 44.06 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.474 0.725 0 CA-C-N 111.42 -2.627 . . . . 0.0 111.896 -179.614 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -127.19 93.7 3.81 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -171.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -71.38 64.41 0.4 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 123.152 1.453 . . . . 0.0 107.642 171.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -78.11 35.36 0.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 113.881 -1.508 . . . . 0.0 114.783 -171.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.4 m -126.94 154.19 44.85 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.669 -162.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.9 m -66.69 -46.59 75.11 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 113.073 -1.876 . . . . 0.0 111.704 174.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -117.08 120.81 39.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.647 0.592 . . . . 0.0 112.192 153.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.7 t -8.69 144.8 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 130.426 3.49 . . . . 0.0 118.149 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.5 139.32 58.48 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.423 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.56 HD21 ' HB3' ' A' ' 22' ' ' TYR . 54.4 t30 . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 158.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.56 ' HB3' HD21 ' A' ' 20' ' ' ASN . 23.3 t80 . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 114.185 1.179 . . . . 0.0 114.185 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.1 p -111.44 -0.68 16.18 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm 56.45 24.47 8.56 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.887 1.675 . . . . 0.0 114.008 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -117.01 144.79 44.19 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 122.244 1.021 . . . . 0.0 110.787 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.7 m -68.42 130.66 43.53 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 113.506 -1.679 . . . . 0.0 110.706 171.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 123.536 1.636 . . . . 0.0 113.107 177.018 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.28 116.19 5.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 113.595 -1.639 . . . . 0.0 113.185 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 p . . . . . 0 CA--C 1.545 0.781 0 CA-C-N 111.519 -2.582 . . . . 0.0 112.114 171.095 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -52.43 128.8 26.79 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.357 1.463 . . . . 0.0 113.51 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.2 m -57.25 133.47 55.11 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 p -145.57 162.27 37.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 128.594 2.758 . . . . 0.0 109.371 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' A' ' 12' ' ' SER . 15.6 t . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 176.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.609 0.719 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.445 ' HB2' ' H ' ' A' ' 9' ' ' SER . 13.0 m -154.39 90.68 1.35 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 123.108 1.432 . . . . 0.0 110.47 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -90.92 37.95 0.94 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 113.646 -1.615 . . . . 0.0 113.951 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -87.57 39.73 0.89 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 76.8 m -117.53 154.18 31.93 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 113.657 -1.61 . . . . 0.0 110.72 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m -68.53 -39.54 81.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 73.1 mtp180 -119.44 107.4 13.29 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 153.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.0 m -1.77 151.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 118.775 2.88 . . . . 0.0 118.775 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -63.22 127.11 29.77 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.526 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 170.738 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.2 t80 . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -99.81 -3.36 32.81 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 mttp 54.12 39.46 30.69 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.74 1.216 . . . . 0.0 112.591 -175.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -135.63 135.08 39.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.319 1.048 . . . . 0.0 108.871 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.0 m -60.46 129.21 40.45 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.793 0.683 . . . . 0.0 111.903 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.57 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 19.8 m-85 . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 124.253 1.021 . . . . 0.0 110.524 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.583 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 92.6 mttt -82.82 115.07 21.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 122.617 1.199 . . . . 0.0 112.258 172.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.479 1.004 0 CA-C-N 113.155 -1.839 . . . . 0.0 111.731 171.009 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.703 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -55.99 152.76 9.76 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -172.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.5 p -77.01 127.94 33.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.676 1.19 . . . . 0.0 113.948 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.8 157.29 45.37 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.835 2.054 . . . . 0.0 111.505 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 t . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 169.758 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.2 p -108.99 88.45 2.73 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.255 1.026 . . . . 0.0 109.089 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -75.36 49.25 0.46 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 112.803 -1.999 . . . . 0.0 112.825 171.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.583 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 23.9 p-10 -96.0 44.5 1.08 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 113.42 -1.718 . . . . 0.0 112.34 -172.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.3 m -122.61 148.95 44.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 112.211 -2.268 . . . . 0.0 109.818 -173.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.8 m -61.27 -32.25 72.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.659 174.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -131.97 99.58 4.79 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.631 0.773 . . . . 0.0 110.684 157.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' HD2' ' A' ' 27' ' ' TYR . 33.8 p 21.75 139.85 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 118.897 2.925 . . . . 0.0 118.897 168.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.83 139.22 56.56 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 122.047 0.927 . . . . 0.0 110.115 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 . . . . . 0 C--N 1.317 -0.838 0 N-CA-C 103.925 -2.62 . . . . 0.0 103.925 162.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.8 p -84.31 -5.66 59.29 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.25 -1.341 . . . . 0.0 114.55 -174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm 56.44 25.77 10.03 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.433 1.493 . . . . 0.0 112.843 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -125.69 150.5 47.59 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -175.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.7 m -71.16 126.1 28.69 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.379 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HD2' ' OG ' ' A' ' 18' ' ' SER . 4.5 m-85 . . . . . 0 C--O 1.212 -0.896 0 CA-C-O 123.211 1.482 . . . . 0.0 113.198 -177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -83.37 124.78 30.99 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.829 163.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.476 0.827 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.867 -179.351 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.836 0 CA-C-O 119.163 -0.798 . . . . 0.0 114.641 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -62.22 141.68 58.08 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 p -71.67 122.3 20.35 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.315 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 p -146.05 155.22 42.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.915 1.686 . . . . 0.0 111.472 -169.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 N--CA 1.477 0.894 0 CA-C-N 113.234 -1.803 . . . . 0.0 111.762 171.581 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.22 79.76 1.83 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.939 0.876 . . . . 0.0 109.791 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CD1' ' HB3' ' A' ' 19' ' ' CYS . 44.8 m-85 -75.88 39.54 0.18 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -89.42 52.26 2.31 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.876 1.322 . . . . 0.0 112.982 -176.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.8 m -105.74 158.32 16.81 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.562 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.33 -49.06 79.1 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.488 167.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.586 ' NH1' ' H ' ' A' ' 18' ' ' SER . 10.5 mmm180 -119.98 137.85 53.83 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.274 0.984 . . . . 0.0 111.916 162.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.586 ' H ' ' NH1' ' A' ' 17' ' ' ARG . 33.0 t -43.28 146.73 0.43 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 -160.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 13' ' ' TYR . 43.8 t -68.19 132.13 46.61 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.441 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 . . . . . 0 CA--C 1.536 0.42 0 CA-C-N 113.161 -1.836 . . . . 0.0 108.772 -178.6 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.4 p -108.26 -9.64 15.48 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm 61.36 23.35 13.6 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.569 1.948 . . . . 0.0 113.06 -169.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -117.18 150.97 37.85 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.498 1.119 . . . . 0.0 112.4 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 82.1 m -66.71 136.72 55.95 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.56 1.144 . . . . 0.0 111.808 172.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 123.158 1.456 . . . . 0.0 113.799 178.772 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -53.76 -9.7 0.24 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.482 1.149 0 C-N-CA 125.655 1.582 . . . . 0.0 112.844 -163.007 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.845 0 CA-C-O 121.824 0.68 . . . . 0.0 113.096 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -54.32 135.03 45.28 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -176.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -66.38 116.29 7.23 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 113.307 -1.769 . . . . 0.0 108.816 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -141.82 152.31 43.58 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 112.883 -1.962 . . . . 0.0 110.197 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.245 176.509 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 14' ' ' ASN . 69.2 p -93.68 68.88 4.03 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 123.125 1.44 . . . . 0.0 109.496 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -67.94 25.93 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 111.469 -2.605 . . . . 0.0 114.525 170.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 12' ' ' SER . 30.7 p-10 -91.6 43.66 1.15 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.106 -1.406 . . . . 0.0 112.622 -175.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 m -109.46 154.79 22.14 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.875 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.5 m -58.27 -39.85 80.31 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.55 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 71.1 mtt85 -119.5 119.68 34.56 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 161.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.4 158.26 0.61 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -162.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 25.2 t -72.52 116.24 12.75 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.331 1.053 . . . . 0.0 112.645 -173.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.808 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -97.73 -10.49 24.81 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? 52.13 38.84 25.36 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.546 1.938 . . . . 0.0 114.226 -168.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -133.69 142.8 48.17 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.147 1.379 . . . . 0.0 112.615 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 97.5 m -64.69 126.67 28.65 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.074 1.35 . . . . 0.0 110.905 176.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.55 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 26.2 m-85 . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 122.459 1.124 . . . . 0.0 113.517 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.417 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 84.0 mttt -62.65 115.97 4.77 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 123.125 1.44 . . . . 0.0 114.388 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.475 0.79 0 CA-C-N 111.099 -2.773 . . . . 0.0 113.107 170.087 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.922 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -65.99 151.44 46.81 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 117.547 0.674 . . . . 0.0 111.791 175.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -82.44 138.95 34.25 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.23 -176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.0 p -148.47 157.77 43.69 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 112.915 -1.948 . . . . 0.0 111.118 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.576 ' HG ' ' N ' ' A' ' 11' ' ' THR . 12.6 t . . . . . 0 C--O 1.246 0.873 0 CA-C-N 113.043 -1.889 . . . . 0.0 112.798 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.576 ' N ' ' HG ' ' A' ' 9' ' ' SER . 29.6 p . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -152.67 85.38 1.24 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.566 1.146 . . . . 0.0 107.926 173.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -82.01 51.84 1.84 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.994 -1.457 . . . . 0.0 109.623 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.417 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 30.0 p-10 -85.86 29.67 0.7 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 113.885 -1.507 . . . . 0.0 114.826 -171.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.0 m -110.26 154.33 23.59 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.865 -174.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -55.92 -50.69 70.01 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.044 -1.434 . . . . 0.0 112.902 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 1.7 mpt_? -111.0 41.64 1.78 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 174.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t 65.74 163.65 0.16 Allowed 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 125.897 1.679 . . . . 0.0 113.042 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 t -83.52 146.14 28.52 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.773 0.829 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 . . . . . 0 N--CA 1.473 0.713 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.995 168.741 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -112.29 -7.09 14.02 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm 55.71 25.86 8.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.125 1.77 . . . . 0.0 113.659 -169.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -131.9 148.34 52.53 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.094 0.949 . . . . 0.0 113.346 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.29 139.62 58.78 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 113.945 -1.479 . . . . 0.0 112.463 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 95.8 m-85 . . . . . 0 CA--C 1.55 0.951 0 CA-C-O 123.704 1.716 . . . . 0.0 110.679 170.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.443 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 87.9 mttt -75.79 129.6 37.3 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.909 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.477 0.914 0 CA-C-N 113.582 -1.644 . . . . 0.0 113.074 173.917 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.786 0 N-CA-C 115.719 1.048 . . . . 0.0 115.719 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.433 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 29.7 m -54.79 156.21 3.8 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -170.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 p -74.53 120.84 20.64 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.066 -1.424 . . . . 0.0 112.739 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.1 p -144.19 155.49 43.92 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 112.568 -2.105 . . . . 0.0 111.334 -171.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.468 ' HB3' ' OG ' ' A' ' 12' ' ' SER . 29.5 t . . . . . 0 N--CA 1.477 0.898 0 CA-C-N 113.382 -1.735 . . . . 0.0 110.589 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.484 1.247 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.468 ' OG ' ' HB3' ' A' ' 9' ' ' SER . 7.4 p -82.03 -28.91 32.25 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 41.51 40.39 1.32 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.443 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 16.8 p-10 -82.05 36.36 0.46 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -164.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.7 m -117.85 153.62 33.2 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 125.883 1.673 . . . . 0.0 112.802 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.82 -41.28 95.4 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 113.292 -1.776 . . . . 0.0 111.641 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 84.7 mtm180 -120.4 90.44 3.33 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 153.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 t 16.67 148.58 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 108.476 -3.965 . . . . 0.0 116.818 164.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -83.9 151.92 24.82 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.558 -173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 . . . . . 0 CA--C 1.541 0.632 0 CA-C-N 113.611 -1.631 . . . . 0.0 110.605 170.43 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 . . . . . 0 CA--C 1.543 0.678 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.4 p -105.68 20.09 19.49 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 118.321 2.712 . . . . 0.0 118.321 -174.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt 51.17 34.61 11.52 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.045 1.738 . . . . 0.0 112.561 171.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -133.63 143.07 48.38 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.878 -1.51 . . . . 0.0 111.515 -173.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 65.1 m -64.79 137.48 57.81 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.302 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 20.8 m-85 . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 123.337 1.541 . . . . 0.0 110.171 171.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.554 1.117 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.688 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 70.6 mttt -66.81 104.05 1.25 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 113.903 -1.499 . . . . 0.0 113.017 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.482 1.135 0 CA-C-N 112.98 -1.918 . . . . 0.0 113.915 168.899 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.9 0 N-CA-C 114.682 0.633 . . . . 0.0 114.682 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m -62.78 137.16 58.2 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.8 m -55.69 133.23 50.6 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 122.884 1.326 . . . . 0.0 113.247 168.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -150.49 167.01 28.43 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 126.443 1.897 . . . . 0.0 110.435 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.478 0.938 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.043 177.862 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.9 p -118.21 94.33 4.45 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 123.643 1.687 . . . . 0.0 111.731 -170.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.82 46.06 0.75 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 112.216 -2.265 . . . . 0.0 111.869 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.688 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 14.1 p-10 -87.03 35.44 0.69 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 113.337 -1.756 . . . . 0.0 113.702 -171.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.7 m -116.13 156.46 26.42 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 112.496 -2.138 . . . . 0.0 111.856 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.3 m -62.9 -48.8 77.38 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 114.218 -1.356 . . . . 0.0 111.781 171.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -118.54 110.45 17.39 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 158.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 m -8.9 154.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.5 t -71.65 137.22 47.72 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.494 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.461 174.502 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 t80 . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 113.356 0.872 . . . . 0.0 113.356 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.4 p -106.93 -7.74 16.91 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm 41.14 37.72 0.62 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.178 1.791 . . . . 0.0 114.939 -163.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -135.43 136.99 41.79 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 111.86 -2.427 . . . . 0.0 110.045 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.1 m -54.67 140.68 34.76 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.418 1.087 . . . . 0.0 111.833 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 123.509 1.623 . . . . 0.0 110.82 175.37 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.632 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 74.4 mttt -82.55 122.39 28.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.686 0.755 . . . . 0.0 111.616 169.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 m . . . . . 0 N--CA 1.474 0.756 0 CA-C-N 112.797 -2.002 . . . . 0.0 111.395 175.208 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.418 ' O ' ' HD2' ' A' ' 25' ' ' ARG . . . . . . . . 0 N--CA 1.483 1.776 0 N-CA-C 114.051 0.38 . . . . 0.0 114.051 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -61.52 151.2 33.61 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -171.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.479 ' HA ' ' HD3' ' A' ' 25' ' ' ARG . 9.7 m -65.41 122.95 18.34 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 114.078 -1.419 . . . . 0.0 112.215 174.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.4 p -142.39 168.49 19.6 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 113.353 -1.749 . . . . 0.0 112.814 -170.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 N--CA 1.472 0.654 0 CA-C-N 112.125 -2.307 . . . . 0.0 112.168 -178.406 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.487 1.392 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -105.8 -25.3 12.24 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -175.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 43.1 m-85 48.82 44.01 21.61 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -175.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.632 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 12.8 p-10 -85.12 39.07 0.75 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -167.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.9 m -120.59 155.79 32.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.766 2.026 . . . . 0.0 107.918 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.16 -40.7 86.43 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 171.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 75.5 mtp180 -111.95 36.1 3.45 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 174.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.4 t 66.7 167.22 0.22 Allowed 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.528 ' H ' ' HD1' ' A' ' 13' ' ' TYR . 33.2 t -109.17 123.58 49.45 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.583 1.553 . . . . 0.0 112.331 -173.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.4 t30 . . . . . 0 N--CA 1.473 0.716 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.944 176.793 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.5 p -95.21 -17.67 21.53 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -172.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 62.66 30.01 16.89 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 125.273 1.429 . . . . 0.0 111.665 -167.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 67.5 mmt-85 -127.99 138.72 52.71 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.153 0.501 . . . . 0.0 112.182 -173.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.78 138.13 58.31 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.511 1.125 . . . . 0.0 112.231 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 81.5 m-85 . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 123.177 1.465 . . . . 0.0 111.159 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -67.43 116.47 8.21 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.315 172.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 p . . . . . 0 N--CA 1.478 0.942 0 CA-C-N 111.871 -2.422 . . . . 0.0 113.187 170.713 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.479 0 CA-C-O 120.228 -0.206 . . . . 0.0 112.913 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -56.64 139.4 50.27 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.6 m -56.37 116.6 3.17 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 113.323 -1.762 . . . . 0.0 114.436 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.8 p -127.94 -179.93 5.23 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 112.176 -2.284 . . . . 0.0 109.769 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 N--CA 1.472 0.673 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.743 -179.915 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.2 p -139.49 97.99 3.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 122.954 1.359 . . . . 0.0 110.807 -174.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.35 48.56 1.16 Allowed 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.288 175.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -90.53 46.7 1.36 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 112.724 -2.035 . . . . 0.0 112.085 -168.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.4 m -122.81 151.7 41.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 112.902 -1.954 . . . . 0.0 110.74 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.8 m -62.12 -43.44 98.83 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.244 -1.344 . . . . 0.0 111.946 174.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 33.0 mtp180 -117.8 121.67 41.38 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 157.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 p -18.29 148.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 128.125 2.57 . . . . 0.0 116.929 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.97 140.03 55.04 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.504 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.5 t30 . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 161.613 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.1 p -106.63 5.78 29.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm 59.97 30.95 20.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.053 1.741 . . . . 0.0 114.353 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.4 mtm-85 -130.33 147.83 52.09 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.926 -173.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.7 m -67.83 136.99 54.97 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.731 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 21.2 m-85 . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 123.276 1.513 . . . . 0.0 111.758 174.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.43 133.29 45.81 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.362 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.479 1.015 0 C-N-CA 125.027 1.331 . . . . 0.0 112.642 177.876 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.706 0 CA-C-O 119.596 -0.558 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -53.77 148.26 10.37 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.865 0.833 . . . . 0.0 113.193 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.2 p -75.26 139.22 42.4 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 113.513 -1.676 . . . . 0.0 112.961 -173.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -155.64 157.76 37.23 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.4 -1.727 . . . . 0.0 112.407 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.478 0.971 0 CA-C-N 112.433 -2.167 . . . . 0.0 109.716 172.278 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 p -117.51 73.27 0.87 Allowed 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.847 1.308 . . . . 0.0 110.828 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.92 37.01 0.08 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -97.71 37.33 1.4 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.515 1.526 . . . . 0.0 114.783 -169.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB2' ' C ' ' A' ' 18' ' ' SER . 78.8 m -106.18 160.52 15.27 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 112.621 -2.081 . . . . 0.0 109.938 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -60.51 -43.97 96.52 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -109.12 26.01 11.12 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.656 172.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.405 ' C ' ' HB2' ' A' ' 15' ' ' CYS . 2.3 t 67.62 177.41 0.24 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.54 2.336 . . . . 0.0 113.659 -174.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.0 t -102.2 135.37 43.92 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.838 1.655 . . . . 0.0 108.803 -171.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.0 t30 . . . . . 0 N--CA 1.478 0.975 0 CA-C-N 117.74 0.246 . . . . 0.0 111.358 175.685 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.5 p -111.22 -5.61 14.68 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm 50.37 27.85 2.96 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.731 1.613 . . . . 0.0 113.882 -166.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -135.31 144.34 46.67 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.226 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.9 m -57.96 135.63 56.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.194 -1.367 . . . . 0.0 110.529 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 . . . . . 0 C--O 1.241 0.657 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.069 177.753 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.823 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 15.4 mttp -91.2 116.7 29.03 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.321 160.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 CA--C 1.549 0.92 0 CA-C-N 112.316 -2.22 . . . . 0.0 112.115 173.168 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.496 ' O ' ' HD2' ' A' ' 25' ' ' ARG . . . . . . . . 0 CA--C 1.543 1.785 0 N-CA-C 115.412 0.925 . . . . 0.0 115.412 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.634 ' OG ' ' HB3' ' A' ' 2' ' ' LYS . 92.7 p -77.58 151.15 34.59 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.669 0.788 . . . . 0.0 112.369 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 25' ' ' ARG . 7.8 t -72.62 123.23 22.81 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -169.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.0 p -135.25 156.1 49.53 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 112.92 -1.945 . . . . 0.0 112.064 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.58 ' HG ' ' N ' ' A' ' 11' ' ' THR . 28.9 t . . . . . 0 C--O 1.245 0.834 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.205 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.58 ' N ' ' HG ' ' A' ' 9' ' ' SER . 8.8 t . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -89.35 -53.13 4.69 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.429 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 95.4 m-85 57.98 29.25 17.39 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 176.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.823 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 18.5 p-10 -84.14 42.35 0.87 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.312 1.845 . . . . 0.0 114.547 -174.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -120.69 148.7 43.59 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.087 -1.415 . . . . 0.0 110.905 -175.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.3 m -60.16 -42.97 96.06 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 68.8 mtm-85 -113.83 123.56 50.11 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 160.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.1 t -10.57 154.21 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.798 2.839 . . . . 0.0 118.3 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.429 ' HB2' ' HA ' ' A' ' 13' ' ' TYR . 11.5 t -75.55 147.81 39.39 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 . . . . . 0 CA--C 1.545 0.753 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 161.864 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.6 t80 . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 t -92.6 2.07 56.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm 55.31 38.42 30.33 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.016 1.726 . . . . 0.0 113.291 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 5' ' ' GLY . 16.4 mmt180 -147.52 147.07 29.75 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.036 0.934 . . . . 0.0 111.828 -167.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.4 m -69.69 139.2 53.42 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.264 176.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.596 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 32.6 m-85 . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 122.35 1.072 . . . . 0.0 111.092 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 115.373 1.619 . . . . 0.0 115.373 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -55.87 137.7 49.82 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.45 1.5 . . . . 0.0 112.846 173.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.471 0.597 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.243 176.883 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.339 0 CA-C-O 119.266 -0.741 . . . . 0.0 113.542 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -58.9 143.77 46.76 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -172.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.9 p -71.67 129.52 38.89 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 113.531 -1.668 . . . . 0.0 110.522 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -155.89 156.96 35.54 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.647 -170.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.314 -0.961 0 CA-C-N 111.151 -2.75 . . . . 0.0 111.379 177.485 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.3 p . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 p -121.45 77.89 1.38 Allowed 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -69.14 41.05 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.974 -1.079 . . . . 0.0 113.465 172.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -81.74 36.21 0.43 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.862 1.665 . . . . 0.0 114.538 -173.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.1 m -120.67 153.23 37.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.498 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.8 m -58.96 -46.57 87.73 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.449 -1.25 . . . . 0.0 112.976 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 73.6 mtp180 -106.24 31.75 4.92 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 174.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 t 67.65 169.59 0.26 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.514 2.326 . . . . 0.0 112.949 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 41.9 t -93.47 137.57 32.62 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.803 1.241 . . . . 0.0 110.205 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.514 HD21 ' HB3' ' A' ' 22' ' ' TYR . 61.7 t30 . . . . . 0 N--CA 1.473 0.68 0 C-N-CA 123.742 0.817 . . . . 0.0 110.083 171.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.514 ' HB3' HD21 ' A' ' 20' ' ' ASN . 21.7 t80 . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.448 ' H ' ' ND2' ' A' ' 20' ' ' ASN . 74.6 p -99.78 1.9 43.59 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp 59.32 33.14 22.38 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.397 1.479 . . . . 0.0 114.811 -175.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.66 150.47 48.52 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.612 -169.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 80.9 m -65.66 132.65 49.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 176.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 63.0 m-85 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 123.595 1.664 . . . . 0.0 109.553 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.484 1.225 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.623 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 73.0 mttt -66.19 149.57 50.12 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 122.405 1.097 . . . . 0.0 111.82 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.477 0.9 0 CA-C-N 113.92 -1.491 . . . . 0.0 114.084 175.504 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.699 0 N-CA-C 113.821 0.289 . . . . 0.0 113.821 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -63.0 155.23 28.12 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 p -79.06 124.79 28.63 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 113.742 -1.572 . . . . 0.0 112.61 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 p -140.61 168.17 20.43 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 112.338 -2.21 . . . . 0.0 112.428 -170.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 CA--C 1.537 0.446 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.236 167.749 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.5 p . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 p -103.85 -28.34 11.67 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 49.75 42.31 23.47 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.623 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 13.4 p-10 -89.2 42.99 1.12 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 112.808 -1.996 . . . . 0.0 115.542 -161.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 1.0 OUTLIER -126.87 153.9 45.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 112.533 -2.121 . . . . 0.0 111.968 178.053 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.1 m -58.57 -36.6 74.2 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.363 -1.29 . . . . 0.0 114.064 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 10.9 mtp180 -110.65 30.18 7.05 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 167.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t 61.52 171.53 0.11 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.981 1.713 . . . . 0.0 113.983 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.1 t -108.23 122.77 47.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.757 1.623 . . . . 0.0 112.441 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 . . . . . 0 N--CA 1.482 1.159 0 C-N-CA 123.702 0.801 . . . . 0.0 112.165 178.726 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.8 p -118.99 -12.46 9.53 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.3 mttt 57.23 25.73 11.4 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -165.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 -122.45 146.74 47.09 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.613 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.3 m -73.59 136.88 44.0 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -174.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 68.5 m-85 . . . . . 0 N--CA 1.475 0.777 0 CA-C-N 112.827 -1.988 . . . . 0.0 110.111 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.0 p . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.881 ' NZ ' HD22 ' A' ' 14' ' ' ASN . 33.5 mmtm -67.15 131.88 46.69 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.79 0.805 . . . . 0.0 109.64 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.476 0.875 0 CA-C-N 113.985 -1.461 . . . . 0.0 112.245 175.537 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.93 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -73.58 148.87 42.54 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -176.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 p -70.75 114.63 9.02 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 113.762 -1.563 . . . . 0.0 114.59 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -132.01 165.16 24.59 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 111.955 -2.384 . . . . 0.0 113.61 -171.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 C--O 1.24 0.591 0 CA-C-N 113.749 -1.568 . . . . 0.0 110.655 170.686 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 p -107.74 -27.05 10.52 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 172.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 24.9 m-85 33.55 36.32 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -171.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.881 HD22 ' NZ ' ' A' ' 2' ' ' LYS . 13.5 p-10 -76.0 30.79 0.11 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.233 2.613 . . . . 0.0 117.121 -169.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -109.31 147.86 31.98 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 128.013 2.525 . . . . 0.0 111.389 -171.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.8 m -61.1 -38.71 87.26 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 112.855 -1.975 . . . . 0.0 111.746 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -128.98 120.47 26.12 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 158.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 m -15.29 154.25 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 128.63 2.772 . . . . 0.0 118.435 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' H ' ' HD1' ' A' ' 13' ' ' TYR . 42.6 t -82.65 125.9 31.73 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.106 -173.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 t30 . . . . . 0 CA--C 1.54 0.58 0 O-C-N 124.939 1.399 . . . . 0.0 108.51 172.62 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.7 t80 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -109.01 7.12 25.69 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm 53.71 36.21 23.2 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.53 1.532 . . . . 0.0 114.28 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 mtt85 -135.24 145.4 47.59 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.064 -173.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.0 m -64.28 135.96 56.72 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.785 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 124.006 1.86 . . . . 0.0 111.895 178.139 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HE3' ' HB3' ' A' ' 14' ' ' ASN . 10.4 mtmp? -80.46 133.4 35.85 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.522 176.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.471 0.604 0 CA-C-N 114.284 -1.325 . . . . 0.0 113.344 -176.722 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.805 0 N-CA-C 113.996 0.358 . . . . 0.0 113.996 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -61.39 137.35 58.24 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.999 0.904 . . . . 0.0 112.617 -177.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.2 m -55.75 146.51 21.14 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.086 -1.87 . . . . 0.0 113.165 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.558 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 20.6 p -165.9 145.83 6.41 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 113.378 -1.737 . . . . 0.0 110.061 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 CA--C 1.558 1.284 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.011 174.04 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.487 1.382 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -102.57 67.75 1.02 Allowed 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 122.267 1.032 . . . . 0.0 109.28 -171.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -75.71 43.92 0.27 Allowed 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 113.864 -1.517 . . . . 0.0 112.256 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.581 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 27.9 t30 -97.9 35.14 1.76 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.117 -1.856 . . . . 0.0 109.624 -174.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 92.5 m -116.67 149.15 40.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 113.875 -1.512 . . . . 0.0 111.384 -169.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.3 m -55.88 -45.99 78.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.802 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 81.7 mtm180 -117.22 40.69 2.96 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 168.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t 62.39 162.29 0.09 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.357 1.463 . . . . 0.0 113.47 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.7 t -85.43 136.36 33.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.189 0.996 . . . . 0.0 109.822 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.467 ' OD1' ' HD2' ' A' ' 22' ' ' TYR . 65.3 t30 . . . . . 0 CA--C 1.537 0.464 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.677 163.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HD2' ' OD1' ' A' ' 20' ' ' ASN . 59.5 m-85 . . . . . 0 CA--C 1.552 1.048 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -107.77 1.95 23.29 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm 56.86 41.77 27.46 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -137.77 151.61 48.33 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.763 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.3 m -67.3 134.64 51.95 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.5 0.72 . . . . 0.0 110.671 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 85.4 m-85 . . . . . 0 N--CA 1.483 1.2 0 CA-C-O 122.899 1.333 . . . . 0.0 111.435 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.501 ' NZ ' HD22 ' A' ' 14' ' ' ASN . 11.8 mptt -68.12 134.28 50.3 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.053 0.93 . . . . 0.0 111.619 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 113.34 -1.755 . . . . 0.0 113.465 -175.236 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 1.97 0 N-CA-C 114.747 0.659 . . . . 0.0 114.747 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -68.98 158.99 33.6 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.0 m -72.84 129.92 39.26 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 122.915 1.34 . . . . 0.0 113.07 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 p -140.79 167.96 20.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 112.236 -2.256 . . . . 0.0 111.403 -171.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.24 0.58 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.91 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 p -143.91 -26.73 0.54 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 120.09 3.367 . . . . 0.0 120.09 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.447 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 57.5 m-85 55.8 44.64 25.76 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.88 1.672 . . . . 0.0 114.706 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.501 HD22 ' NZ ' ' A' ' 2' ' ' LYS . 12.3 p-10 -86.71 38.62 0.8 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 112.269 -2.241 . . . . 0.0 116.611 -166.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.5 m -107.52 159.15 16.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.161 -1.381 . . . . 0.0 108.394 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.8 m -57.55 -27.93 63.08 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -105.81 -79.23 0.56 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 160.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 m -160.23 157.69 28.65 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.632 1.173 . . . . 0.0 111.654 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' H ' ' HD1' ' A' ' 13' ' ' TYR . 22.3 t -89.81 136.7 32.89 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.01 0.819 . . . . 0.0 109.106 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.4 t30 . . . . . 0 N--CA 1.48 1.061 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.094 175.782 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 . . . . . 0 N--CA 1.482 1.136 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -122.48 -2.46 8.95 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.9 mttp 46.29 37.79 4.47 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 126.425 1.89 . . . . 0.0 113.899 -168.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -129.23 146.37 51.15 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 112.236 -2.257 . . . . 0.0 111.505 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.83 132.18 47.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.523 -1.217 . . . . 0.0 114.083 -174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 CA--C 1.54 0.565 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.122 160.257 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.648 ' NZ ' HD22 ' A' ' 14' ' ' ASN . 61.0 mttp -68.6 124.47 23.69 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 123.046 1.403 . . . . 0.0 110.505 177.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.478 0.931 0 CA-C-N 111.895 -2.411 . . . . 0.0 111.321 -175.432 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.499 0 N-CA-C 113.387 0.115 . . . . 0.0 113.387 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -59.75 146.05 42.91 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 122.166 0.984 . . . . 0.0 113.315 -172.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 p -68.99 124.42 23.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 112.921 -1.945 . . . . 0.0 112.229 170.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 p -115.1 -173.69 2.36 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.761 2.024 . . . . 0.0 111.532 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.546 0.808 0 CA-C-N 112.021 -2.354 . . . . 0.0 105.367 161.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 m -84.64 -18.07 36.58 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 42.31 43.6 3.04 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.966 1.706 . . . . 0.0 114.77 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.648 HD22 ' NZ ' ' A' ' 2' ' ' LYS . 6.5 p-10 -75.63 31.62 0.11 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 117.953 2.575 . . . . 0.0 117.953 -171.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -121.59 148.8 44.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.767 1.627 . . . . 0.0 113.375 -174.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.7 m -55.23 -62.49 1.63 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.238 -1.346 . . . . 0.0 113.566 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 79.0 mtp180 -95.64 34.64 1.46 Allowed 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.5 0.667 . . . . 0.0 112.643 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t 63.54 162.94 0.11 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.861 1.664 . . . . 0.0 113.105 -176.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -107.55 142.15 37.9 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.129 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 . . . . . 0 CA--C 1.553 1.08 0 CA-C-N 113.317 -1.765 . . . . 0.0 110.367 174.103 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.3 p -102.03 -13.88 17.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -168.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 64.45 21.44 12.47 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.765 1.626 . . . . 0.0 113.271 -170.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -116.75 136.75 52.71 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 122.307 1.051 . . . . 0.0 112.793 -172.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.0 m -61.43 137.19 58.23 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.136 174.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 47.6 m-85 . . . . . 0 N--CA 1.486 1.338 0 C-N-CA 125.104 1.362 . . . . 0.0 111.46 176.561 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 64.8 mttt -66.28 143.63 57.09 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 122.778 1.275 . . . . 0.0 109.412 177.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 CA--C 1.538 0.486 0 CA-C-N 113.887 -1.506 . . . . 0.0 111.524 172.101 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.673 0 CA-C-O 119.779 -0.456 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -59.35 144.01 47.84 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.1 m -66.42 126.5 29.03 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.712 -1.586 . . . . 0.0 112.393 175.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.6 p -147.02 147.27 30.49 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 113.173 -1.83 . . . . 0.0 112.023 -173.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.476 0.83 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.936 173.512 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 p . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -119.53 71.84 0.89 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.934 1.35 . . . . 0.0 110.088 -160.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -75.72 35.75 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 113.574 -1.648 . . . . 0.0 113.487 -178.281 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.412 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -81.68 47.69 1.1 Allowed 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 124.189 1.947 . . . . 0.0 115.073 -172.175 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 6.6 m -124.62 152.08 44.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 112.823 -1.989 . . . . 0.0 110.88 177.475 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -55.51 -36.65 66.92 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.409 -1.723 . . . . 0.0 113.1 -178.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 71.0 mmt-85 -117.86 37.72 3.87 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 168.304 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t 64.34 167.39 0.16 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.861 1.664 . . . . 0.0 113.726 173.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 t -92.01 149.26 21.62 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 122.812 1.291 . . . . 0.0 109.756 177.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 . . . . . 0 CA--C 1.541 0.613 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.991 166.99 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 p -66.84 -20.23 65.89 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm 60.68 22.77 12.64 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.777 2.031 . . . . 0.0 113.061 -169.32 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -127.77 157.93 39.04 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.321 1.449 . . . . 0.0 110.921 -177.175 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.7 m -83.5 140.88 32.03 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 73.4 m-85 . . . . . 0 N--CA 1.476 0.844 0 CA-C-N 114.979 -1.01 . . . . 0.0 113.297 -173.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.555 1.155 0 CA-C-O 120.994 0.426 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -97.39 135.74 38.85 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 122.784 1.278 . . . . 0.0 112.805 158.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -54.74 136.62 45.92 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 111.958 -2.383 . . . . 0.0 112.857 171.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.23 -24.44 7.1 Favored Glycine 0 CA--C 1.542 1.763 0 C-N-CA 124.989 1.28 . . . . 0.0 114.983 -171.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -71.76 142.15 49.73 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 117.198 2.296 . . . . 0.0 117.198 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.4 m -60.63 104.58 0.35 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.324 2.25 . . . . 0.0 113.278 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 p -133.21 162.02 32.9 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.531 2.333 . . . . 0.0 112.086 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -87.91 126.52 35.09 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.685 172.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.443 ' HB2' ' HA ' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.0 p -64.61 -36.48 84.38 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 116.729 2.122 . . . . 0.0 116.729 -172.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 p -70.59 -22.62 62.54 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 44.59 45.71 7.98 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 126.546 1.938 . . . . 0.0 113.672 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -81.5 42.4 0.68 Allowed 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -172.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.5 m -117.66 160.42 21.32 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.972 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.89 -46.1 79.6 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.385 166.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 70.9 mtm180 -108.8 120.46 42.55 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 124.61 1.194 . . . . 0.0 109.244 163.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.0 p -36.7 149.63 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 112.465 -2.152 . . . . 0.0 116.073 -168.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 9.9 t -75.43 121.02 21.67 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 112.845 -1.98 . . . . 0.0 108.981 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.488 ' HA ' HD23 ' A' ' 21' ' ' HYP . 60.5 t-20 -63.27 116.23 5.28 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 174.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . 0.488 HD23 ' HA ' ' A' ' 20' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -71.39 -37.25 71.58 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.488 ' HB ' ' CZ ' ' A' ' 25' ' ' ARG . 81.7 p -104.14 -13.38 16.26 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 -173.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 66.53 30.4 8.55 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 123.052 1.406 . . . . 0.0 112.315 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' CZ ' ' HB ' ' A' ' 23' ' ' THR . 23.3 mtm180 -136.68 135.29 38.08 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.56 -172.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 58.9 m -63.25 134.58 56.11 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.075 0.95 . . . . 0.0 113.429 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 39.4 m-85 -65.5 139.36 58.48 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 125.308 2.48 . . . . 0.0 111.35 172.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.907 0 O-C-N 119.265 -2.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.649 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 56.0 mmtt -90.6 140.37 29.82 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.484 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -55.97 150.95 12.59 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 113.667 -1.606 . . . . 0.0 113.068 -173.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.18 -29.94 11.09 Favored Glycine 0 N--CA 1.477 1.428 0 CA-C-N 114.403 -1.272 . . . . 0.0 115.229 -173.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.649 ' OG ' ' HB3' ' A' ' 2' ' ' LYS . 60.5 p -70.17 161.55 30.02 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.6 p -67.93 143.93 55.44 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 114.498 -1.228 . . . . 0.0 113.508 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.2 p -159.6 158.37 31.51 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 113.858 -1.519 . . . . 0.0 112.016 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -103.6 149.05 25.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 113.074 -1.876 . . . . 0.0 111.735 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.415 ' HA ' ' OD1' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.0 p -99.24 -8.05 25.57 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 176.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -138.99 96.69 3.16 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 122.562 1.172 . . . . 0.0 109.754 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -78.94 56.72 2.0 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 113.359 -1.746 . . . . 0.0 110.501 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -74.13 37.64 0.1 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.772 1.629 . . . . 0.0 114.985 -176.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 79.8 m -122.97 144.51 49.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 113.648 -1.614 . . . . 0.0 112.612 -170.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.95 -46.47 90.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 112.612 -2.085 . . . . 0.0 111.378 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 71.7 mtm180 -115.51 119.35 35.9 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 161.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.7 p -22.17 152.58 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 118.485 2.772 . . . . 0.0 118.485 -169.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 t -65.78 142.9 57.81 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.577 -0.702 . . . . 0.0 110.904 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -96.11 107.55 19.87 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 158.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . 0.415 ' OD1' ' HA ' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -78.79 -30.54 45.57 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -169.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.7 p -88.63 -23.77 22.98 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm 67.79 23.73 8.44 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.206 2.202 . . . . 0.0 112.001 -168.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -123.13 146.53 47.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.054 1.342 . . . . 0.0 110.963 -177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.6 m -63.29 137.33 58.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.038 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 25.5 m-85 -66.82 171.79 4.97 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 122.954 1.359 . . . . 0.0 110.998 171.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.166 0 O-C-N 120.475 -1.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.547 0.84 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.553 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 8.4 mmmm -71.29 111.28 6.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.292 -1.776 . . . . 0.0 111.89 175.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.405 ' HA ' HD23 ' A' ' 4' ' ' HYP . 23.3 t -43.03 135.93 2.96 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 112.441 -2.163 . . . . 0.0 111.94 176.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.467 HD23 ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.85 -31.44 8.68 Favored Glycine 0 N--CA 1.481 1.697 0 CA-C-N 114.761 -1.109 . . . . 0.0 113.289 -172.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.553 ' OG ' ' HB3' ' A' ' 2' ' ' LYS . 99.6 p -62.17 167.42 4.04 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.573 0.701 . . . . 0.0 112.058 174.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.0 t -90.86 148.62 22.37 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 114.263 -1.335 . . . . 0.0 112.991 -172.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -151.5 159.65 44.06 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 116.536 2.05 . . . . 0.0 116.536 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -94.96 147.53 23.29 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 111.42 -2.627 . . . . 0.0 111.896 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 p -79.69 -25.79 41.13 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.6 m -127.19 93.7 3.81 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -171.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -71.38 64.41 0.4 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 123.152 1.453 . . . . 0.0 107.642 171.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -78.11 35.36 0.21 Allowed 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 113.881 -1.508 . . . . 0.0 114.783 -171.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.4 m -126.94 154.19 44.85 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.669 -162.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.467 ' HB2' HD23 ' A' ' 4' ' ' HYP . 67.9 m -66.69 -46.59 75.11 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 113.073 -1.876 . . . . 0.0 111.704 174.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -117.08 120.81 39.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.647 0.592 . . . . 0.0 112.192 153.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.7 t -8.69 144.8 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 130.426 3.49 . . . . 0.0 118.149 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.5 139.32 58.48 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.423 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.56 HD21 ' HB3' ' A' ' 22' ' ' TYR . 54.4 t30 -94.96 105.77 17.71 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 158.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.56 ' HB3' HD21 ' A' ' 20' ' ' ASN . 23.3 t80 -50.69 -44.84 57.96 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 113.202 -1.817 . . . . 0.0 114.185 -177.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.1 p -111.44 -0.68 16.18 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm 56.45 24.47 8.56 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.887 1.675 . . . . 0.0 114.008 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.4 mtm105 -117.01 144.79 44.19 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 122.244 1.021 . . . . 0.0 110.787 177.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 82.7 m -68.42 130.66 43.53 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 113.506 -1.679 . . . . 0.0 110.706 171.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -66.51 155.06 38.71 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 123.536 1.636 . . . . 0.0 113.107 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 O-C-N 120.176 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -64.28 116.19 5.78 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 113.595 -1.639 . . . . 0.0 113.185 177.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.405 ' HA ' HD23 ' A' ' 4' ' ' HYP . 10.1 p -46.46 129.63 10.78 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 111.519 -2.582 . . . . 0.0 112.114 171.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.416 ' HB2' ' O ' ' A' ' 27' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.66 -54.26 0.69 Allowed Glycine 0 N--CA 1.479 1.557 0 C-N-CA 124.801 1.191 . . . . 0.0 112.057 -166.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -52.43 128.8 26.79 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.357 1.463 . . . . 0.0 113.51 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.2 m -57.25 133.47 55.11 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.5 p -145.57 162.27 37.85 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 128.594 2.758 . . . . 0.0 109.371 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' A' ' 12' ' ' SER . 15.6 t -95.97 155.91 16.55 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 176.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.421 HD23 ' HG2' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.7 p -94.91 29.2 2.45 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.607 0.763 . . . . 0.0 111.198 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.445 ' HB2' ' H ' ' A' ' 9' ' ' SER . 13.0 m -154.39 90.68 1.35 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 123.108 1.432 . . . . 0.0 110.47 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -90.92 37.95 0.94 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 113.646 -1.615 . . . . 0.0 113.951 177.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -87.57 39.73 0.89 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 76.8 m -117.53 154.18 31.93 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 113.657 -1.61 . . . . 0.0 110.72 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m -68.53 -39.54 81.11 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 73.1 mtp180 -119.44 107.4 13.29 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 153.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.0 m -1.77 151.55 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 118.775 2.88 . . . . 0.0 118.775 175.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -63.22 127.11 29.77 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.526 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -80.28 94.05 6.02 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 170.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -54.71 -50.22 68.82 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.43 1.092 . . . . 0.0 113.072 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.6 p -99.81 -3.36 32.81 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -174.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HG2' HD23 ' A' ' 10' ' ' HYP . 58.8 mttp 54.12 39.46 30.69 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.74 1.216 . . . . 0.0 112.591 -175.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -135.63 135.08 39.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.319 1.048 . . . . 0.0 108.871 -175.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.0 m -60.46 129.21 40.45 Favored 'General case' 0 N--CA 1.478 0.925 0 O-C-N 123.793 0.683 . . . . 0.0 111.903 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.57 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 19.8 m-85 -60.23 146.97 41.74 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.253 1.021 . . . . 0.0 110.524 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.826 0 O-C-N 120.475 -1.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.583 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 92.6 mttt -82.82 115.07 21.56 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 122.617 1.199 . . . . 0.0 112.258 172.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -46.72 128.21 10.44 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 113.155 -1.839 . . . . 0.0 111.731 171.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.636 HD23 ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.22 -42.78 1.87 Allowed Glycine 0 CA--C 1.541 1.703 0 CA-C-N 113.271 -1.786 . . . . 0.0 112.018 -167.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -55.99 152.76 9.76 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -172.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.5 p -77.01 127.94 33.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.676 1.19 . . . . 0.0 113.948 175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -132.8 157.29 45.37 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.835 2.054 . . . . 0.0 111.505 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.0 t -82.0 147.86 28.97 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t -92.89 -5.88 49.89 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.2 p -108.99 88.45 2.73 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-O 122.255 1.026 . . . . 0.0 109.089 -178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -75.36 49.25 0.46 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 112.803 -1.999 . . . . 0.0 112.825 171.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.583 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 23.9 p-10 -96.0 44.5 1.08 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 113.42 -1.718 . . . . 0.0 112.34 -172.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 98.3 m -122.61 148.95 44.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 112.211 -2.268 . . . . 0.0 109.818 -173.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.636 ' HB2' HD23 ' A' ' 4' ' ' HYP . 67.8 m -61.27 -32.25 72.07 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.659 174.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -131.97 99.58 4.79 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.631 0.773 . . . . 0.0 110.684 157.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' ' HD2' ' A' ' 27' ' ' TYR . 33.8 p 21.75 139.85 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 118.897 2.925 . . . . 0.0 118.897 168.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.83 139.22 56.56 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 122.047 0.927 . . . . 0.0 110.115 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.405 ' HA ' HD23 ' A' ' 21' ' ' HYP . 42.1 t-20 -96.17 107.86 20.24 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 103.925 -2.62 . . . . 0.0 103.925 162.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . 0.405 HD23 ' HA ' ' A' ' 20' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -60.28 -55.12 37.53 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 114.114 -1.403 . . . . 0.0 110.048 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.8 p -84.31 -5.66 59.29 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.25 -1.341 . . . . 0.0 114.55 -174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm 56.44 25.77 10.03 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.433 1.493 . . . . 0.0 112.843 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 mtm105 -125.69 150.5 47.59 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -175.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.7 m -71.16 126.1 28.69 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.379 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' HD2' ' OG ' ' A' ' 18' ' ' SER . 4.5 m-85 -56.36 148.57 18.55 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-O 123.211 1.482 . . . . 0.0 113.198 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.107 0 O-C-N 120.683 -1.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.483 1.183 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -83.37 124.78 30.99 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.829 163.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 p -57.16 139.72 51.67 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.867 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.89 -28.55 9.26 Favored Glycine 0 CA--C 1.543 1.836 0 CA-C-N 113.189 -1.823 . . . . 0.0 114.641 -169.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -62.22 141.68 58.08 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.0 p -71.67 122.3 20.35 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 113.487 -1.688 . . . . 0.0 110.315 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 p -146.05 155.22 42.64 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.915 1.686 . . . . 0.0 111.472 -169.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.6 t -82.2 147.05 29.2 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 113.234 -1.803 . . . . 0.0 111.762 171.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.3 p -66.84 -17.75 65.04 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.22 79.76 1.83 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.939 0.876 . . . . 0.0 109.791 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CD1' ' HB3' ' A' ' 19' ' ' CYS . 44.8 m-85 -75.88 39.54 0.18 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -89.42 52.26 2.31 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.876 1.322 . . . . 0.0 112.982 -176.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.8 m -105.74 158.32 16.81 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.562 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.33 -49.06 79.1 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.488 167.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.586 ' NH1' ' H ' ' A' ' 18' ' ' SER . 10.5 mmm180 -119.98 137.85 53.83 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 124.274 0.984 . . . . 0.0 111.916 162.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.586 ' H ' ' NH1' ' A' ' 17' ' ' ARG . 33.0 t -43.28 146.73 0.43 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 -160.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 13' ' ' TYR . 43.8 t -68.19 132.13 46.61 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.441 178.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -96.53 111.05 23.32 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 113.161 -1.836 . . . . 0.0 108.772 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -62.05 -36.61 82.14 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -175.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.4 p -108.26 -9.64 15.48 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm 61.36 23.35 13.6 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.569 1.948 . . . . 0.0 113.06 -169.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -117.18 150.97 37.85 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.498 1.119 . . . . 0.0 112.4 179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 82.1 m -66.71 136.72 55.95 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.56 1.144 . . . . 0.0 111.808 172.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' O ' ' HB2' ' A' ' 4' ' ' HYP . 2.3 m-30 -56.16 147.79 19.66 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 123.158 1.456 . . . . 0.0 113.799 178.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.183 0 O-C-N 120.44 -1.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -53.76 -9.7 0.24 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m 63.83 140.68 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 125.655 1.582 . . . . 0.0 112.844 -163.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.412 ' HB2' ' O ' ' A' ' 27' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 95.17 -30.06 8.63 Favored Glycine 0 CA--C 1.544 1.845 0 C-N-CA 125.705 1.621 . . . . 0.0 113.096 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -54.32 135.03 45.28 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -176.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 m -66.38 116.29 7.23 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 113.307 -1.769 . . . . 0.0 108.816 173.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -141.82 152.31 43.58 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 112.883 -1.962 . . . . 0.0 110.197 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 p -76.9 147.43 37.02 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 117.953 -1.022 . . . . 0.0 109.245 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.512 HD23 ' HG2' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -30.76 70.81 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 177.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.462 ' C ' ' H ' ' A' ' 14' ' ' ASN . 69.2 p -93.68 68.88 4.03 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 123.125 1.44 . . . . 0.0 109.496 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -67.94 25.93 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 111.469 -2.605 . . . . 0.0 114.525 170.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 12' ' ' SER . 30.7 p-10 -91.6 43.66 1.15 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.106 -1.406 . . . . 0.0 112.622 -175.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 m -109.46 154.79 22.14 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.057 -1.429 . . . . 0.0 107.875 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.5 m -58.27 -39.85 80.31 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.55 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 71.1 mtt85 -119.5 119.68 34.56 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 161.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.4 158.26 0.61 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 -162.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 25.2 t -72.52 116.24 12.75 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.331 1.053 . . . . 0.0 112.645 -173.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -75.53 109.54 9.17 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -54.9 -44.16 73.9 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.823 1.649 . . . . 0.0 113.449 -178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.9 p -97.73 -10.49 24.81 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HG2' HD23 ' A' ' 10' ' ' HYP . 7.7 mtpm? 52.13 38.84 25.36 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 126.546 1.938 . . . . 0.0 114.226 -168.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -133.69 142.8 48.17 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.147 1.379 . . . . 0.0 112.615 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 97.5 m -64.69 126.67 28.65 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.074 1.35 . . . . 0.0 110.905 176.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 26.2 m-85 -60.02 149.19 32.93 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 122.459 1.124 . . . . 0.0 113.517 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.514 0 O-C-N 120.5 -1.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.417 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 84.0 mttt -62.65 115.97 4.77 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 123.125 1.44 . . . . 0.0 114.388 175.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -39.85 144.08 0.21 Allowed 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 111.099 -2.773 . . . . 0.0 113.107 170.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.492 ' HD1' ' N ' ' A' ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.91 -19.61 24.61 Favored Glycine 0 CA--C 1.545 1.922 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -65.99 151.44 46.81 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 117.547 0.674 . . . . 0.0 111.791 175.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -82.44 138.95 34.25 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.23 -176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.0 p -148.47 157.77 43.69 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 112.915 -1.948 . . . . 0.0 111.118 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 t -93.17 148.63 21.86 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-N 113.043 -1.889 . . . . 0.0 112.798 -177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p -118.36 27.58 8.87 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.92 0.888 . . . . 0.0 113.004 170.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -152.67 85.38 1.24 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.566 1.146 . . . . 0.0 107.926 173.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -82.01 51.84 1.84 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.994 -1.457 . . . . 0.0 109.623 177.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.417 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 30.0 p-10 -85.86 29.67 0.7 Allowed 'General case' 0 N--CA 1.481 1.108 0 CA-C-N 113.885 -1.507 . . . . 0.0 114.826 -171.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 78.0 m -110.26 154.33 23.59 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.865 -174.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -55.92 -50.69 70.01 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.044 -1.434 . . . . 0.0 112.902 175.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 1.7 mpt_? -111.0 41.64 1.78 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 174.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t 65.74 163.65 0.16 Allowed 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 125.897 1.679 . . . . 0.0 113.042 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.4 t -83.52 146.14 28.52 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.773 0.829 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -105.84 109.5 21.47 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.995 168.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -65.92 -27.61 68.31 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.757 -1.111 . . . . 0.0 113.886 -175.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -112.29 -7.09 14.02 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm 55.71 25.86 8.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.125 1.77 . . . . 0.0 113.659 -169.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.2 mtm180 -131.9 148.34 52.53 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.094 0.949 . . . . 0.0 113.346 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.5 m -64.29 139.62 58.78 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 113.945 -1.479 . . . . 0.0 112.463 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 95.8 m-85 -80.47 150.16 29.8 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-O 123.704 1.716 . . . . 0.0 110.679 170.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . 0.492 ' N ' ' HD1' ' A' ' 4' ' ' HYP . . . . . . . . 0 C--N 1.301 -1.524 0 O-C-N 120.74 -1.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 17.4 p . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 87.9 mttt -75.79 129.6 37.3 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.909 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -47.52 135.26 11.31 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 113.582 -1.644 . . . . 0.0 113.074 173.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.07 -37.25 3.91 Favored Glycine 0 CA--C 1.543 1.786 0 O-C-N 124.579 1.174 . . . . 0.0 115.719 -173.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.433 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 29.7 m -54.79 156.21 3.8 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 -170.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 p -74.53 120.84 20.64 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 114.066 -1.424 . . . . 0.0 112.739 169.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.1 p -144.19 155.49 43.92 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 112.568 -2.105 . . . . 0.0 111.334 -171.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.468 ' HB3' ' OG ' ' A' ' 12' ' ' SER . 29.5 t -81.84 139.86 34.49 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 113.382 -1.735 . . . . 0.0 110.589 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.518 ' OD1' ' HA ' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -60.4 -32.28 71.17 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 -174.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.468 ' OG ' ' HB3' ' A' ' 9' ' ' SER . 7.4 p -82.03 -28.91 32.25 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.461 ' HE1' HD23 ' A' ' 21' ' ' HYP . 64.9 m-85 41.51 40.39 1.32 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.443 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 16.8 p-10 -82.05 36.36 0.46 Allowed 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 -164.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 64.7 m -117.85 153.62 33.2 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 125.883 1.673 . . . . 0.0 112.802 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.3 m -60.82 -41.28 95.4 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 113.292 -1.776 . . . . 0.0 111.641 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 84.7 mtm180 -120.4 90.44 3.33 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 153.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.9 t 16.67 148.58 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 108.476 -3.965 . . . . 0.0 116.818 164.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -83.9 151.92 24.82 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 113.975 -1.466 . . . . 0.0 110.558 -173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.42 ' HA ' HD22 ' A' ' 21' ' ' HYP . 42.7 t-20 -87.62 111.88 21.72 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 113.611 -1.631 . . . . 0.0 110.605 170.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . 0.518 ' HA ' ' OD1' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -78.72 -60.82 2.22 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 175.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.4 p -105.68 20.09 19.49 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 118.321 2.712 . . . . 0.0 118.321 -174.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt 51.17 34.61 11.52 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 126.045 1.738 . . . . 0.0 112.561 171.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -133.63 143.07 48.38 Favored 'General case' 0 N--CA 1.482 1.132 0 CA-C-N 113.878 -1.51 . . . . 0.0 111.515 -173.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 6' ' ' SER . 65.1 m -64.79 137.48 57.81 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.302 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.417 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 20.8 m-85 -72.24 149.76 44.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 123.337 1.541 . . . . 0.0 110.171 171.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.575 0 O-C-N 119.444 -2.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.554 1.117 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.688 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 70.6 mttt -66.81 104.05 1.25 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 113.903 -1.499 . . . . 0.0 113.017 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -28.26 143.76 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 112.98 -1.918 . . . . 0.0 113.915 168.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.447 HD23 ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.59 -29.0 8.96 Favored Glycine 0 N--CA 1.485 1.9 0 CA-C-N 114.624 -1.171 . . . . 0.0 114.682 -176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m -62.78 137.16 58.2 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.8 m -55.69 133.23 50.6 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 122.884 1.326 . . . . 0.0 113.247 168.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -150.49 167.01 28.43 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 126.443 1.897 . . . . 0.0 110.435 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -106.11 152.4 23.47 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.043 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.473 ' OD1' ' HA ' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 p -80.88 -21.69 40.43 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 169.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.9 p -118.21 94.33 4.45 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 123.643 1.687 . . . . 0.0 111.731 -170.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -79.82 46.06 0.75 Allowed 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 112.216 -2.265 . . . . 0.0 111.869 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.688 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 14.1 p-10 -87.03 35.44 0.69 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 113.337 -1.756 . . . . 0.0 113.702 -171.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 77.7 m -116.13 156.46 26.42 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 112.496 -2.138 . . . . 0.0 111.856 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.447 ' HB2' HD23 ' A' ' 4' ' ' HYP . 73.3 m -62.9 -48.8 77.38 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 114.218 -1.356 . . . . 0.0 111.781 171.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -118.54 110.45 17.39 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 158.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.1 m -8.9 154.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.5 t -71.65 137.22 47.72 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.494 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -99.57 110.59 23.02 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.461 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . 0.473 ' HA ' ' OD1' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -54.92 -44.62 74.4 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.124 1.37 . . . . 0.0 113.356 -176.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.4 p -106.93 -7.74 16.91 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -175.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm 41.14 37.72 0.62 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.178 1.791 . . . . 0.0 114.939 -163.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.7 mtm180 -135.43 136.99 41.79 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 111.86 -2.427 . . . . 0.0 110.045 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.1 m -54.67 140.68 34.76 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.418 1.087 . . . . 0.0 111.833 -178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -66.4 167.33 10.75 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 123.509 1.623 . . . . 0.0 110.82 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.084 0 O-C-N 120.688 -1.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.632 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 74.4 mttt -82.55 122.39 28.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.686 0.755 . . . . 0.0 111.616 169.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.0 m -47.44 133.22 12.99 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 112.797 -2.002 . . . . 0.0 111.395 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.418 ' O ' ' HD2' ' A' ' 25' ' ' ARG . . . 108.71 -38.58 3.26 Favored Glycine 0 N--CA 1.483 1.776 0 O-C-N 124.603 1.189 . . . . 0.0 114.051 -168.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -61.52 151.2 33.61 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -171.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.479 ' HA ' ' HD3' ' A' ' 25' ' ' ARG . 9.7 m -65.41 122.95 18.34 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 114.078 -1.419 . . . . 0.0 112.215 174.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.4 p -142.39 168.49 19.6 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 113.353 -1.749 . . . . 0.0 112.814 -170.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.2 t -95.25 118.54 32.2 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 112.125 -2.307 . . . . 0.0 112.168 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.9 p -75.86 -13.77 60.28 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 m -105.8 -25.3 12.24 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -175.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 43.1 m-85 48.82 44.01 21.61 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 116.342 1.978 . . . . 0.0 116.342 -175.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.632 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 12.8 p-10 -85.12 39.07 0.75 Allowed 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -167.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.9 m -120.59 155.79 32.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.766 2.026 . . . . 0.0 107.918 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.16 -40.7 86.43 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 171.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 75.5 mtp180 -111.95 36.1 3.45 Favored 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 174.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.4 t 66.7 167.22 0.22 Allowed 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.528 ' H ' ' HD1' ' A' ' 13' ' ' TYR . 33.2 t -109.17 123.58 49.45 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.583 1.553 . . . . 0.0 112.331 -173.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -72.33 112.9 8.81 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.944 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -57.86 -45.27 86.55 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.5 p -95.21 -17.67 21.53 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 -172.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? 62.66 30.01 16.89 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 125.273 1.429 . . . . 0.0 111.665 -167.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HD3' ' HA ' ' A' ' 7' ' ' SER . 67.5 mmt-85 -127.99 138.72 52.71 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.153 0.501 . . . . 0.0 112.182 -173.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.78 138.13 58.31 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.511 1.125 . . . . 0.0 112.231 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 81.5 m-85 -72.52 151.67 42.33 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 123.177 1.465 . . . . 0.0 111.159 175.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.096 0 O-C-N 120.32 -1.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -67.43 116.47 8.21 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.315 172.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 p -35.85 132.31 0.49 Allowed 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 111.871 -2.422 . . . . 0.0 113.187 170.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.418 HD23 ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.05 -37.35 3.72 Favored Glycine 0 CA--C 1.538 1.479 0 O-C-N 124.682 1.239 . . . . 0.0 112.913 -172.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -56.64 139.4 50.27 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 115.893 1.812 . . . . 0.0 115.893 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.6 m -56.37 116.6 3.17 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 113.323 -1.762 . . . . 0.0 114.436 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.8 p -127.94 -179.93 5.23 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 112.176 -2.284 . . . . 0.0 109.769 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t -123.56 150.01 44.56 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.743 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.558 ' HB2' ' HB2' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.3 p -97.16 -13.85 21.84 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 170.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.2 p -139.49 97.99 3.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 122.954 1.359 . . . . 0.0 110.807 -174.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.35 48.56 1.16 Allowed 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.288 175.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -90.53 46.7 1.36 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 112.724 -2.035 . . . . 0.0 112.085 -168.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 72.4 m -122.81 151.7 41.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 112.902 -1.954 . . . . 0.0 110.74 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' HB2' HD23 ' A' ' 4' ' ' HYP . 58.8 m -62.12 -43.44 98.83 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.244 -1.344 . . . . 0.0 111.946 174.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 33.0 mtp180 -117.8 121.67 41.38 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 157.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 p -18.29 148.55 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 128.125 2.57 . . . . 0.0 116.929 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.2 t -68.97 140.03 55.04 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.504 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -91.41 112.4 24.29 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 161.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . 0.558 ' HB2' ' HB2' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -58.32 -45.43 88.06 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -175.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.1 p -106.63 5.78 29.28 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm 59.97 30.95 20.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 126.053 1.741 . . . . 0.0 114.353 175.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.4 mtm-85 -130.33 147.83 52.09 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.926 -173.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.7 m -67.83 136.99 54.97 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.731 172.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.607 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 21.2 m-85 -72.75 152.02 41.83 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 123.276 1.513 . . . . 0.0 111.758 174.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.43 133.29 45.81 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.362 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -60.25 128.71 38.09 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.027 1.331 . . . . 0.0 112.642 177.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.94 -41.12 2.23 Favored Glycine 0 CA--C 1.541 1.706 0 CA-C-N 114.883 -1.053 . . . . 0.0 113.193 -168.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -53.77 148.26 10.37 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.865 0.833 . . . . 0.0 113.193 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.2 p -75.26 139.22 42.4 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 113.513 -1.676 . . . . 0.0 112.961 -173.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -155.64 157.76 37.23 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.4 -1.727 . . . . 0.0 112.407 -173.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 t -95.88 156.31 16.39 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 112.433 -2.167 . . . . 0.0 109.716 172.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.8 p -68.25 -8.42 39.11 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 178.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 56.4 p -117.51 73.27 0.87 Allowed 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.847 1.308 . . . . 0.0 110.828 173.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -72.92 37.01 0.08 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -97.71 37.33 1.4 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.515 1.526 . . . . 0.0 114.783 -169.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.405 ' HB2' ' C ' ' A' ' 18' ' ' SER . 78.8 m -106.18 160.52 15.27 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 112.621 -2.081 . . . . 0.0 109.938 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -60.51 -43.97 96.52 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -109.12 26.01 11.12 Favored 'General case' 0 N--CA 1.483 1.175 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.656 172.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.405 ' C ' ' HB2' ' A' ' 15' ' ' CYS . 2.3 t 67.62 177.41 0.24 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.54 2.336 . . . . 0.0 113.659 -174.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 54.0 t -102.2 135.37 43.92 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.838 1.655 . . . . 0.0 108.803 -171.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -96.37 111.24 23.4 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 117.74 0.246 . . . . 0.0 111.358 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -58.98 -35.2 72.8 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 50.5 p -111.22 -5.61 14.68 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm 50.37 27.85 2.96 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 125.731 1.613 . . . . 0.0 113.882 -166.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.9 mtt85 -135.31 144.34 46.67 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 113.995 -1.457 . . . . 0.0 112.226 -173.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.9 m -57.96 135.63 56.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.194 -1.367 . . . . 0.0 110.529 -179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -60.78 139.26 57.98 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.069 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 121.404 -0.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.823 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 15.4 mttp -91.2 116.7 29.03 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 113.557 -1.656 . . . . 0.0 109.321 160.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -45.77 147.85 0.87 Allowed 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 112.316 -2.22 . . . . 0.0 112.115 173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.496 ' O ' ' HD2' ' A' ' 25' ' ' ARG . . . 88.96 -15.44 57.85 Favored Glycine 0 CA--C 1.543 1.785 0 N-CA-C 115.412 0.925 . . . . 0.0 115.412 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.634 ' OG ' ' HB3' ' A' ' 2' ' ' LYS . 92.7 p -77.58 151.15 34.59 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.669 0.788 . . . . 0.0 112.369 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 25' ' ' ARG . 7.8 t -72.62 123.23 22.81 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -169.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.0 p -135.25 156.1 49.53 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 112.92 -1.945 . . . . 0.0 112.064 -174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.407 ' HA ' HD22 ' A' ' 10' ' ' HYP . 28.9 t -90.07 146.27 24.45 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-N 113.317 -1.765 . . . . 0.0 111.205 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.555 ' HB2' ' HB2' ' A' ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -115.5 -14.82 11.52 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 168.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -89.35 -53.13 4.69 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -171.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.429 ' HA ' ' HB2' ' A' ' 19' ' ' CYS . 95.4 m-85 57.98 29.25 17.39 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 176.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.823 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 18.5 p-10 -84.14 42.35 0.87 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.312 1.845 . . . . 0.0 114.547 -174.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -120.69 148.7 43.59 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 114.087 -1.415 . . . . 0.0 110.905 -175.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.3 m -60.16 -42.97 96.06 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 173.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 68.8 mtm-85 -113.83 123.56 50.11 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 160.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.1 t -10.57 154.21 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.798 2.839 . . . . 0.0 118.3 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.429 ' HB2' ' HA ' ' A' ' 13' ' ' TYR . 11.5 t -75.55 147.81 39.39 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 170.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -104.36 110.11 22.23 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 161.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . 0.555 ' HB2' ' HB2' ' A' ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -61.29 -49.59 76.44 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.876 -173.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.4 t -92.6 2.07 56.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.967 1.469 . . . . 0.0 114.967 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm 55.31 38.42 30.33 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 126.016 1.726 . . . . 0.0 113.291 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' A' ' 5' ' ' GLY . 16.4 mmt180 -147.52 147.07 29.75 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.036 0.934 . . . . 0.0 111.828 -167.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.42 ' HB2' ' H ' ' A' ' 5' ' ' GLY . 66.4 m -69.69 139.2 53.42 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.264 176.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.596 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 32.6 m-85 -70.34 150.24 46.52 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 122.35 1.072 . . . . 0.0 111.092 172.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.798 -1.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 115.373 1.619 . . . . 0.0 115.373 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -55.87 137.7 49.82 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.45 1.5 . . . . 0.0 112.846 173.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 p -67.04 145.02 55.81 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.243 176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.71 -39.29 2.84 Favored Glycine 0 CA--C 1.551 2.339 0 CA-C-N 114.562 -1.199 . . . . 0.0 113.542 -171.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -58.9 143.77 46.76 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -172.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.9 p -71.67 129.52 38.89 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 113.531 -1.668 . . . . 0.0 110.522 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -155.89 156.96 35.54 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.647 -170.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 t -84.45 143.64 29.27 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 111.151 -2.75 . . . . 0.0 111.379 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.3 p -106.78 -3.03 20.88 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 167.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 p -121.45 77.89 1.38 Allowed 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -69.14 41.05 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.974 -1.079 . . . . 0.0 113.465 172.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -81.74 36.21 0.43 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.862 1.665 . . . . 0.0 114.538 -173.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.1 m -120.67 153.23 37.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.047 -1.433 . . . . 0.0 109.498 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.8 m -58.96 -46.57 87.73 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 114.449 -1.25 . . . . 0.0 112.976 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 73.6 mtp180 -106.24 31.75 4.92 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 174.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 t 67.65 169.59 0.26 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.514 2.326 . . . . 0.0 112.949 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 26' ' ' CYS . 41.9 t -93.47 137.57 32.62 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.803 1.241 . . . . 0.0 110.205 177.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.514 HD21 ' HB3' ' A' ' 22' ' ' TYR . 61.7 t30 -86.05 115.43 23.64 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.742 0.817 . . . . 0.0 110.083 171.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.514 ' HB3' HD21 ' A' ' 20' ' ' ASN . 21.7 t80 -56.37 -51.64 67.54 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.448 ' H ' ' ND2' ' A' ' 20' ' ' ASN . 74.6 p -99.78 1.9 43.59 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp 59.32 33.14 22.38 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.397 1.479 . . . . 0.0 114.811 -175.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -136.66 150.47 48.52 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.612 -169.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 19' ' ' CYS . 80.9 m -65.66 132.65 49.32 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 176.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 63.0 m-85 -64.75 164.39 12.27 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 123.595 1.664 . . . . 0.0 109.553 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.032 0 O-C-N 119.3 -2.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.484 1.225 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.623 ' NZ ' HD21 ' A' ' 14' ' ' ASN . 73.0 mttt -66.19 149.57 50.12 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 122.405 1.097 . . . . 0.0 111.82 -178.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p -58.56 140.89 53.53 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 113.92 -1.491 . . . . 0.0 114.084 175.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.07 -28.36 13.12 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 125.01 1.291 . . . . 0.0 113.821 -174.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -63.0 155.23 28.12 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 p -79.06 124.79 28.63 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 113.742 -1.572 . . . . 0.0 112.61 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 p -140.61 168.17 20.43 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 112.338 -2.21 . . . . 0.0 112.428 -170.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -100.05 131.21 46.14 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 113.557 -1.656 . . . . 0.0 110.236 167.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.5 p -56.88 -26.21 58.39 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 p -103.85 -28.34 11.67 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 117.599 2.444 . . . . 0.0 117.599 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 49.75 42.31 23.47 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 -175.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.623 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 13.4 p-10 -89.2 42.99 1.12 Allowed 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 112.808 -1.996 . . . . 0.0 115.542 -161.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 1.0 OUTLIER -126.87 153.9 45.1 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 112.533 -2.121 . . . . 0.0 111.968 178.053 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.1 m -58.57 -36.6 74.2 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.363 -1.29 . . . . 0.0 114.064 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 10.9 mtp180 -110.65 30.18 7.05 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 167.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.3 t 61.52 171.53 0.11 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.981 1.713 . . . . 0.0 113.983 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.1 t -108.23 122.77 47.62 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.757 1.623 . . . . 0.0 112.441 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -66.6 118.52 10.3 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.702 0.801 . . . . 0.0 112.165 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -61.15 -30.96 70.7 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.8 p -118.99 -12.46 9.53 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.3 mttt 57.23 25.73 11.4 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 -165.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.8 mtm105 -122.45 146.74 47.09 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.613 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.3 m -73.59 136.88 44.0 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 -174.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 68.5 m-85 -62.69 153.37 32.7 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 112.827 -1.988 . . . . 0.0 110.111 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.911 0 O-C-N 119.991 -1.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.0 p . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.783 0.661 . . . . 0.0 112.783 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.881 ' NZ ' HD22 ' A' ' 14' ' ' ASN . 33.5 mmtm -67.15 131.88 46.69 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 121.79 0.805 . . . . 0.0 109.64 176.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.5 p -56.3 135.35 53.68 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 113.985 -1.461 . . . . 0.0 112.245 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.414 ' HA ' ' HB2' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.19 -26.04 20.06 Favored Glycine 0 CA--C 1.545 1.93 0 CA-C-N 113.686 -1.597 . . . . 0.0 115.47 -169.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -73.58 148.87 42.54 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -176.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 p -70.75 114.63 9.02 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 113.762 -1.563 . . . . 0.0 114.59 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -132.01 165.16 24.59 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 111.955 -2.384 . . . . 0.0 113.61 -171.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.0 t -105.59 145.42 31.01 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 113.749 -1.568 . . . . 0.0 110.655 170.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.5 p -78.08 -10.72 59.75 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 p -107.74 -27.05 10.52 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 172.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 24.9 m-85 33.55 36.32 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 116.696 2.11 . . . . 0.0 116.696 -171.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.881 HD22 ' NZ ' ' A' ' 2' ' ' LYS . 13.5 p-10 -76.0 30.79 0.11 Allowed 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.233 2.613 . . . . 0.0 117.121 -169.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 71.9 m -109.31 147.86 31.98 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 128.013 2.525 . . . . 0.0 111.389 -171.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.8 m -61.1 -38.71 87.26 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 112.855 -1.975 . . . . 0.0 111.746 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -128.98 120.47 26.12 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 158.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 m -15.29 154.25 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 128.63 2.772 . . . . 0.0 118.435 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.463 ' O ' HD23 ' A' ' 21' ' ' HYP . 42.6 t -82.65 125.9 31.73 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.106 -173.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -75.22 114.57 13.88 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.939 1.399 . . . . 0.0 108.51 172.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . 0.463 HD23 ' O ' ' A' ' 19' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -53.96 -49.38 68.89 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 -172.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.8 p -109.01 7.12 25.69 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm 53.71 36.21 23.2 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 125.53 1.532 . . . . 0.0 114.28 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 mtt85 -135.24 145.4 47.59 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.064 -173.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 4' ' ' HYP . 79.0 m -64.28 135.96 56.72 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.785 -178.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -68.98 155.44 40.33 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 124.006 1.86 . . . . 0.0 111.895 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.536 0 O-C-N 119.953 -1.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.581 ' HE3' ' HB3' ' A' ' 14' ' ' ASN . 10.4 mtmp? -80.46 133.4 35.85 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.522 176.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t -54.87 143.2 26.67 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 114.284 -1.325 . . . . 0.0 113.344 -176.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.411 HD23 ' HB2' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.43 -38.68 3.14 Favored Glycine 0 N--CA 1.483 1.805 0 CA-C-N 113.565 -1.652 . . . . 0.0 113.996 -165.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -61.39 137.35 58.24 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-O 121.999 0.904 . . . . 0.0 112.617 -177.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.2 m -55.75 146.51 21.14 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 113.086 -1.87 . . . . 0.0 113.165 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.558 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 20.6 p -165.9 145.83 6.41 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 113.378 -1.737 . . . . 0.0 110.061 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -79.49 168.92 18.79 Favored 'General case' 0 CA--C 1.558 1.284 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.011 174.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . 0.51 HD23 ' HG2' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 t -100.41 -9.96 21.66 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -102.57 67.75 1.02 Allowed 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 122.267 1.032 . . . . 0.0 109.28 -171.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -75.71 43.92 0.27 Allowed 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 113.864 -1.517 . . . . 0.0 112.256 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.581 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 27.9 t30 -97.9 35.14 1.76 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.117 -1.856 . . . . 0.0 109.624 -174.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 92.5 m -116.67 149.15 40.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 113.875 -1.512 . . . . 0.0 111.384 -169.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB2' HD23 ' A' ' 4' ' ' HYP . 67.3 m -55.88 -45.99 78.41 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 113.869 -1.514 . . . . 0.0 113.802 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 81.7 mtm180 -117.22 40.69 2.96 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 168.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 t 62.39 162.29 0.09 Allowed 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.357 1.463 . . . . 0.0 113.47 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.7 t -85.43 136.36 33.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.189 0.996 . . . . 0.0 109.822 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.467 ' OD1' ' HD2' ' A' ' 22' ' ' TYR . 65.3 t30 -83.54 105.58 14.58 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.677 163.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HD2' ' OD1' ' A' ' 20' ' ' ASN . 59.5 m-85 -59.15 -50.01 75.67 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 114.102 -1.408 . . . . 0.0 112.878 -175.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.7 p -107.77 1.95 23.29 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 -176.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HG2' HD23 ' A' ' 10' ' ' HYP . 21.1 mtmm 56.86 41.77 27.46 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 174.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -137.77 151.61 48.33 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 113.999 -1.455 . . . . 0.0 110.763 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.3 m -67.3 134.64 51.95 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.5 0.72 . . . . 0.0 110.671 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 85.4 m-85 -67.94 142.99 55.84 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 122.899 1.333 . . . . 0.0 111.435 178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.116 0 O-C-N 119.436 -2.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.501 ' NZ ' HD22 ' A' ' 14' ' ' ASN . 11.8 mptt -68.12 134.28 50.3 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.053 0.93 . . . . 0.0 111.619 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -64.73 136.03 56.49 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 113.34 -1.755 . . . . 0.0 113.465 -175.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.96 -39.54 2.58 Favored Glycine 0 CA--C 1.546 1.97 0 O-C-N 124.425 1.078 . . . . 0.0 114.747 -168.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -68.98 158.99 33.6 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.0 m -72.84 129.92 39.26 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 122.915 1.34 . . . . 0.0 113.07 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 p -140.79 167.96 20.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 112.236 -2.256 . . . . 0.0 111.403 -171.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.53 125.89 51.57 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.91 177.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 t -73.38 6.55 2.85 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 173.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 p -143.91 -26.73 0.54 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 120.09 3.367 . . . . 0.0 120.09 175.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' HD1' ' H ' ' A' ' 19' ' ' CYS . 57.5 m-85 55.8 44.64 25.76 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.88 1.672 . . . . 0.0 114.706 -179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.501 HD22 ' NZ ' ' A' ' 2' ' ' LYS . 12.3 p-10 -86.71 38.62 0.8 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 112.269 -2.241 . . . . 0.0 116.611 -166.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 65.5 m -107.52 159.15 16.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.161 -1.381 . . . . 0.0 108.394 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.8 m -57.55 -27.93 63.08 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -105.81 -79.23 0.56 Allowed 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 160.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 m -160.23 157.69 28.65 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 124.632 1.173 . . . . 0.0 111.654 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' H ' ' HD1' ' A' ' 13' ' ' TYR . 22.3 t -89.81 136.7 32.89 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.01 0.819 . . . . 0.0 109.106 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -87.61 118.42 27.09 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.094 175.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -72.71 -26.26 61.53 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -172.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.7 p -122.48 -2.46 8.95 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.9 mttp 46.29 37.79 4.47 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 126.425 1.89 . . . . 0.0 113.899 -168.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -129.23 146.37 51.15 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 112.236 -2.257 . . . . 0.0 111.505 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.4 m -66.83 132.18 47.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.523 -1.217 . . . . 0.0 114.083 -174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -68.97 158.2 35.18 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.122 160.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.043 0 O-C-N 120.357 -1.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.648 ' NZ ' HD22 ' A' ' 14' ' ' ASN . 61.0 mttp -68.6 124.47 23.69 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 123.046 1.403 . . . . 0.0 110.505 177.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -51.69 145.42 9.31 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 111.895 -2.411 . . . . 0.0 111.321 -175.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.36 -36.04 4.49 Favored Glycine 0 CA--C 1.538 1.499 0 CA-C-N 114.874 -1.057 . . . . 0.0 113.387 -172.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 m -59.75 146.05 42.91 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-O 122.166 0.984 . . . . 0.0 113.315 -172.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.8 p -68.99 124.42 23.69 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 112.921 -1.945 . . . . 0.0 112.229 170.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 p -115.1 -173.69 2.36 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.761 2.024 . . . . 0.0 111.532 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -110.55 116.25 31.05 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 112.021 -2.354 . . . . 0.0 105.367 161.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.9 p -69.75 -25.37 63.79 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 m -84.64 -18.07 36.58 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 42.31 43.6 3.04 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.966 1.706 . . . . 0.0 114.77 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.648 HD22 ' NZ ' ' A' ' 2' ' ' LYS . 6.5 p-10 -75.63 31.62 0.11 Allowed 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 117.953 2.575 . . . . 0.0 117.953 -171.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -121.59 148.8 44.05 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.767 1.627 . . . . 0.0 113.375 -174.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.7 m -55.23 -62.49 1.63 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.238 -1.346 . . . . 0.0 113.566 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.553 ' HB2' ' O ' ' A' ' 27' ' ' TYR . 79.0 mtp180 -95.64 34.64 1.46 Allowed 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.5 0.667 . . . . 0.0 112.643 178.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.1 t 63.54 162.94 0.11 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.861 1.664 . . . . 0.0 113.105 -176.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.7 t -107.55 142.15 37.9 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.129 -175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -76.48 112.7 13.29 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 113.317 -1.765 . . . . 0.0 110.367 174.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -68.92 -42.46 76.76 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.3 p -102.03 -13.88 17.36 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -168.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt 64.45 21.44 12.47 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.765 1.626 . . . . 0.0 113.271 -170.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -116.75 136.75 52.71 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 122.307 1.051 . . . . 0.0 112.793 -172.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.0 m -61.43 137.19 58.23 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 113.966 -1.47 . . . . 0.0 111.136 174.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 47.6 m-85 -77.92 158.51 29.33 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 125.104 1.362 . . . . 0.0 111.46 176.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.202 0 O-C-N 120.254 -1.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.444 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 64.8 mttt -66.28 143.63 57.09 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 122.778 1.275 . . . . 0.0 109.412 177.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -58.44 136.91 57.59 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 113.887 -1.506 . . . . 0.0 111.524 172.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' HYP . . . . . 0.449 ' HB2' ' O ' ' A' ' 27' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.58 -37.72 3.65 Favored Glycine 0 CA--C 1.541 1.673 0 O-C-N 124.864 1.353 . . . . 0.0 112.263 -169.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -59.35 144.01 47.84 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -173.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.1 m -66.42 126.5 29.03 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 113.712 -1.586 . . . . 0.0 112.393 175.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.6 p -147.02 147.27 30.49 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 113.173 -1.83 . . . . 0.0 112.023 -173.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -79.8 154.2 28.62 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.936 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.1 p -67.75 -25.38 65.6 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 176.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -119.53 71.84 0.89 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 122.934 1.35 . . . . 0.0 110.088 -160.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -75.72 35.75 0.13 Allowed 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 113.574 -1.648 . . . . 0.0 113.487 -178.281 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.412 HD21 ' NZ ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -81.68 47.69 1.1 Allowed 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 124.189 1.947 . . . . 0.0 115.073 -172.175 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 2' ' ' LYS . 6.6 m -124.62 152.08 44.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 112.823 -1.989 . . . . 0.0 110.88 177.475 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.7 m -55.51 -36.65 66.92 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 113.409 -1.723 . . . . 0.0 113.1 -178.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 27' ' ' TYR . 71.0 mmt-85 -117.86 37.72 3.87 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 168.304 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 t 64.34 167.39 0.16 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.861 1.664 . . . . 0.0 113.726 173.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.9 t -92.01 149.26 21.62 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 122.812 1.291 . . . . 0.0 109.756 177.605 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -102.75 109.85 21.58 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 113.58 -1.646 . . . . 0.0 107.991 166.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -64.55 -61.79 1.99 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.575 1.15 . . . . 0.0 111.641 -174.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.2 p -66.84 -20.23 65.89 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 179.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm 60.68 22.77 12.64 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.777 2.031 . . . . 0.0 113.061 -169.32 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -127.77 157.93 39.04 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.321 1.449 . . . . 0.0 110.921 -177.175 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.7 m -83.5 140.88 32.03 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 73.4 m-85 -66.7 131.96 47.08 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 114.979 -1.01 . . . . 0.0 113.297 -173.409 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.254 0 O-C-N 121.626 -0.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_