data_6nzl_residue ############################ # Computer software used # ############################ 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 6nzl _Structure_validation_residue.Date_analyzed 2020-10-16 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 ' 99' ' ' PHE . . . . . 0.43 ' HA ' ' O ' ' A' ' 120' ' ' ARG . 67.3 m-85 . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 121.116 0.484 . . . . 72.109999999999999 111.746 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 127' ' ' GLU . 67.7 mmtt 68.98 10.94 8.19 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.065 1.746 . . . . 70.129999999999995 114.067 161.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 p -87.09 -6.88 58.53 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.463 0.705 . . . . 62.119999999999997 111.66 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.72 155.71 41.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.279 1.032 . . . . 71.430000000000007 109.391 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.21 158.0 33.66 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.687 0.795 . . . . 73.25 111.384 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 46.6 t -87.19 112.88 22.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.952 0.901 . . . . 74.129999999999995 110.886 -176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.42 -43.04 93.14 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.065 0.946 . . . . 74.400000000000006 111.333 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.4 87.3 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.821 0.849 . . . . 63.520000000000003 111.467 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 89.9 t80 -73.33 -36.59 66.23 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.006 0.522 . . . . 75.109999999999999 111.015 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -74.36 -45.05 49.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.714 0.406 . . . . 72.140000000000001 111.457 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -90.56 -50.48 5.91 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.301 0.64 . . . . 72.329999999999998 112.017 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.3 t -100.17 -16.22 17.87 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.196 0.599 . . . . 74.329999999999998 111.861 -173.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 77.9 mt-30 75.14 -50.88 0.66 Allowed 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 125.75 1.62 . . . . 71.239999999999995 111.71 -174.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.41 133.55 48.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.527 0.731 . . . . 71.049999999999997 110.655 173.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.5 t -118.95 128.86 54.8 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.193 -1.04 . . . . 74.439999999999998 108.193 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 m -60.71 -33.86 73.52 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.082 0.953 . . . . 72.109999999999999 112.891 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -92.78 -18.71 22.57 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.341 0.656 . . . . 70.230000000000004 111.683 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.77 -122.85 12.37 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-O 119.879 -0.4 . . . . 52.329999999999998 112.633 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.36 -11.94 59.98 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.501 0.721 . . . . 72.340000000000003 111.771 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -90.84 11.01 23.9 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.445 0.698 . . . . 71.230000000000004 111.292 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 38.6 t -68.45 125.75 27.45 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.036 0.934 . . . . 73.409999999999997 110.724 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 99' ' ' PHE . 38.8 ptt180 -68.68 -9.69 51.77 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.455 0.702 . . . . 72.109999999999999 111.653 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -104.21 159.94 15.28 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.361 0.664 . . . . 73.109999999999999 110.948 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.55 131.89 35.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.483 1.113 . . . . 64.310000000000002 111.677 -174.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -100.49 31.22 3.54 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.845 0.858 . . . . 74.329999999999998 110.705 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 166.77 168.8 29.5 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 111.699 -0.561 . . . . 64.239999999999995 111.699 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.12 -30.58 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.524 0.73 . . . . 71.219999999999999 110.831 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -71.23 -34.92 71.23 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.36 0.664 . . . . 74.329999999999998 110.251 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 100' ' ' LYS . 17.7 mm-40 -75.42 -24.89 57.17 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.263 -0.88 . . . . 74.010000000000005 110.753 174.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.7 tp -80.29 113.14 18.25 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.421 0.688 . . . . 71.109999999999999 110.789 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 107.45 -1.315 . . . . 74.420000000000002 107.45 168.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.6 t . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 108.61 -0.885 . . . . 44.310000000000002 108.61 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.45 HD21 ' HB ' ' A' ' 165' ' ' ILE . 83.5 mt -65.1 151.08 46.94 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.622 0.646 . . . . 73.25 111.867 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 9.8 t -87.98 113.1 23.29 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.636 0.774 . . . . 74.400000000000006 109.131 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -74.98 -37.75 61.83 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.197 0.599 . . . . 74.540000000000006 111.082 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -64.21 -42.0 96.8 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.488 0.715 . . . . 74.209999999999994 110.729 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -69.15 -24.22 64.06 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.507 -0.769 . . . . 71.519999999999996 110.705 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.8 t -85.17 -31.98 22.94 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.317 0.647 . . . . 75.099999999999994 111.614 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.2 mtm -90.24 -54.11 4.16 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.797 0.439 . . . . 74.239999999999995 111.598 -175.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 68.3 p -98.18 -10.08 24.69 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.203 0.601 . . . . 75.450000000000003 111.513 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 79.64 3.3 88.93 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 116.206 -0.452 . . . . 70.099999999999994 113.003 -176.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -137.68 134.95 36.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.329 0.651 . . . . 73.439999999999998 110.727 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 32.0 t -121.41 122.1 39.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.739 1.215 . . . . 65.430000000000007 108.107 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -70.14 -25.75 63.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.294 0.638 . . . . 73.530000000000001 112.593 -169.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -74.22 -35.97 63.92 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.212 0.605 . . . . 74.439999999999998 111.117 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.39 -109.07 2.71 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-N 115.833 -0.621 . . . . 71.530000000000001 112.434 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.9 p -74.14 -25.11 59.56 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.251 0.62 . . . . 72.409999999999997 111.137 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -72.94 -16.78 61.53 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.926 0.89 . . . . 72.329999999999998 111.624 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.11 125.91 25.43 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.651 0.781 . . . . 75.019999999999996 111.441 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -82.07 3.67 25.95 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.809 0.844 . . . . 74.310000000000002 111.183 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -117.95 147.17 43.42 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.154 0.982 . . . . 73.5 110.98 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.45 ' HB ' HD21 ' A' ' 146' ' ' LEU . 59.5 mt -71.76 117.35 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.795 1.238 . . . . 62.310000000000002 110.989 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -78.62 94.28 5.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.04 0.536 . . . . 70.109999999999999 109.679 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm . . . . . 0 C--O 1.24 0.56 0 CA-C-N 115.197 -0.911 . . . . 74.439999999999998 109.067 177.322 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.237 0.412 0 N-CA-C 108.44 -0.948 . . . . 73.0 108.44 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt 66.23 16.04 10.3 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.85 1.26 . . . . 75.430000000000007 111.525 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.4 p -80.68 -20.11 43.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.46 1.104 . . . . 74.200000000000003 110.271 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.51 165.41 24.94 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.62 1.168 . . . . 64.510000000000005 108.846 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.76 157.98 28.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.424 0.631 . . . . 74.150000000000006 111.356 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 42.6 t -81.0 116.32 20.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 124.529 1.132 . . . . 73.25 109.175 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.493 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 27.6 t70 -68.39 -35.16 77.27 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.07 0.948 . . . . 71.230000000000004 111.125 -174.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.05 -24.45 64.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.548 0.739 . . . . 51.130000000000003 111.438 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -86.04 -34.24 20.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.054 0.542 . . . . 75.049999999999997 110.979 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -84.86 -34.01 22.71 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 111.605 0.224 . . . . 73.409999999999997 111.605 -177.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -91.09 -50.8 5.65 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.685 0.394 . . . . 73.200000000000003 111.183 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.7 m -104.3 -3.59 24.02 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.125 0.57 . . . . 71.120000000000005 112.396 -170.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 69.38 -66.4 0.26 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 125.55 1.54 . . . . 51.549999999999997 112.245 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.59 113.34 6.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 122.865 0.466 . . . . 73.030000000000001 110.147 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 119' ' ' CYS . 51.0 t -70.22 140.12 52.4 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.398 0.679 . . . . 52.140000000000001 110.749 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.5 m -65.22 -50.2 66.75 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.915 0.886 . . . . 73.450000000000003 111.763 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -83.79 -18.78 36.55 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.176 0.591 . . . . 72.450000000000003 111.155 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.08 -119.32 6.71 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.418 0.449 . . . . 71.120000000000005 112.204 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -76.81 -17.87 58.75 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.297 0.639 . . . . 74.329999999999998 111.184 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -83.15 6.7 18.35 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.583 0.753 . . . . 62.409999999999997 111.572 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 104' ' ' CYS . 44.8 t -67.72 133.39 49.2 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.731 0.813 . . . . 55.130000000000003 110.899 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -92.8 10.64 30.06 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.581 0.753 . . . . 72.409999999999997 111.632 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -132.36 146.02 51.67 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.402 0.681 . . . . 62.219999999999999 110.274 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.7 138.18 57.8 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.626 1.171 . . . . 60.530000000000001 113.338 -168.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -97.67 27.94 4.1 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.57 0.748 . . . . 74.25 110.468 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.54 -178.44 24.21 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 115.759 -0.655 . . . . 70.109999999999999 111.533 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.456 ' HA ' ' HB3' ' A' ' 128' ' ' LEU . 12.8 p -69.39 -22.36 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.449 0.7 . . . . 73.319999999999993 111.963 -175.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -62.94 -37.75 88.31 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.516 0.726 . . . . 63.539999999999999 111.498 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -94.9 -22.09 18.22 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.378 0.671 . . . . 74.109999999999999 111.191 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 125' ' ' VAL . 48.9 tp -72.31 110.06 6.48 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.044 0.449 . . . . 74.439999999999998 111.381 -171.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.344 0 N-CA-C 106.6 -1.63 . . . . 62.509999999999998 106.6 165.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.511 -0.551 . . . . 65.340000000000003 109.511 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.07 135.82 51.39 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.879 0.472 . . . . 63.030000000000001 109.941 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 41.8 t -75.22 113.65 12.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.484 0.714 . . . . 54.539999999999999 109.973 -174.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.23 -37.12 85.98 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.84 0.856 . . . . 73.200000000000003 110.851 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -65.11 -44.21 89.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.378 -0.828 . . . . 73.549999999999997 110.725 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -76.16 -23.25 54.76 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 115.684 -0.689 . . . . 75.230000000000004 110.666 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.7 m -84.37 -39.66 18.81 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.105 0.562 . . . . 71.5 112.156 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 67.2 mtm -90.86 -53.4 4.41 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.967 0.507 . . . . 75.450000000000003 111.717 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 37.7 p -97.62 -18.82 18.68 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.556 0.342 . . . . 70.010000000000005 110.706 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 82.22 5.74 89.38 Favored Glycine 0 C--N 1.351 1.361 0 CA-C-N 116.1 -0.5 . . . . 37.869999999999997 113.357 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -137.62 133.59 34.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.861 0.865 . . . . 73.400000000000006 109.509 -174.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 36.6 t -119.12 127.41 53.33 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.266 1.026 . . . . 74.230000000000004 108.256 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -61.3 -32.8 72.65 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.653 0.781 . . . . 70.219999999999999 112.727 -171.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . 0.52 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 66.1 m-85 -83.29 -28.52 29.05 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.21 0.604 . . . . 64.439999999999998 110.823 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.44 -110.47 3.51 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.706 0.629 . . . . 60.350000000000001 112.361 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 76.8 p -71.31 -20.98 62.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.671 0.788 . . . . 73.129999999999995 111.328 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 84.6 mtt180 -82.48 -5.52 58.75 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.86 0.864 . . . . 65.299999999999997 111.851 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 53.5 t -66.97 130.29 42.65 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.553 0.741 . . . . 74.439999999999998 110.31 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -86.71 5.0 38.37 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.74 0.816 . . . . 73.400000000000006 111.336 -178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -111.86 149.74 31.39 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.011 0.924 . . . . 74.420000000000002 110.695 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.15 121.34 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.722 1.209 . . . . 74.340000000000003 111.531 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -94.31 94.92 8.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.008 0.523 . . . . 74.140000000000001 109.742 171.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 108.262 -1.014 . . . . 74.439999999999998 108.262 169.079 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 t80 . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 107.375 -1.343 . . . . 65.129999999999995 107.375 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.565 ' HZ1' ' HB2' ' A' ' 100' ' ' LYS . 9.7 mtmp? 61.4 24.21 14.35 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.461 1.105 . . . . 73.219999999999999 111.7 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.6 p -77.4 -19.82 55.59 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.074 0.949 . . . . 74.099999999999994 110.473 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.17 167.1 22.83 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.838 1.255 . . . . 62.219999999999999 108.667 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.65 147.55 33.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.014 0.526 . . . . 74.150000000000006 110.587 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 29.0 t -63.08 128.35 35.45 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.476 1.11 . . . . 52.399999999999999 109.943 174.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 109' ' ' ARG . 34.1 t70 -58.37 -47.97 82.11 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.657 0.783 . . . . 73.519999999999996 111.525 -174.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.14 -23.9 64.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.346 0.658 . . . . 75.439999999999998 111.722 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -76.49 -42.8 42.2 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.083 0.553 . . . . 74.129999999999995 110.71 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -77.65 -27.46 51.01 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 111.6 0.222 . . . . 71.340000000000003 111.6 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 16.2 ptm180 -93.19 -47.78 6.78 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.994 0.368 . . . . 74.549999999999997 111.994 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 t -113.69 -17.73 12.05 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.205 0.602 . . . . 65.129999999999995 112.264 -167.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 59.41 28.69 18.12 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.236 1.014 . . . . 70.349999999999994 110.93 -171.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -141.45 101.81 4.07 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.029 0.932 . . . . 65.129999999999995 109.457 -176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.8 t -113.23 126.95 55.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.406 1.083 . . . . 74.030000000000001 109.737 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.5 t -69.08 -34.01 74.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.025 0.93 . . . . 64.129999999999995 111.836 -175.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -74.4 -38.2 63.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.899 0.48 . . . . 64.120000000000005 110.944 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 63.68 -103.02 0.62 Allowed Glycine 0 C--N 1.347 1.155 0 O-C-N 123.715 0.635 . . . . 74.409999999999997 112.986 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.21 -29.75 65.53 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.559 0.744 . . . . 72.310000000000002 110.939 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -87.99 11.75 15.12 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.984 0.914 . . . . 74.400000000000006 111.954 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 36.7 t -77.59 127.56 32.69 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.716 0.807 . . . . 73.329999999999998 110.153 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -70.02 -26.1 63.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.075 0.55 . . . . 71.209999999999994 111.714 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -105.0 160.24 15.19 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.312 0.645 . . . . 74.0 111.457 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.91 139.63 48.86 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.413 -1.267 . . . . 71.219999999999999 113.381 -166.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -105.82 30.85 5.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.331 1.052 . . . . 74.049999999999997 109.979 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.0 163.14 26.28 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 116.097 -0.501 . . . . 65.400000000000006 112.659 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.14 -26.95 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 C-N-CA 123.912 0.885 . . . . 73.109999999999999 111.309 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -74.45 -26.84 60.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.941 0.896 . . . . 73.150000000000006 110.97 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.486 ' HB3' ' HD2' ' A' ' 100' ' ' LYS . 54.7 mt-10 -83.75 -19.69 34.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.71 0.804 . . . . 73.319999999999993 111.857 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.8 mt -66.47 115.7 6.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.312 0.645 . . . . 75.0 112.117 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 106.524 -1.658 . . . . 70.439999999999998 106.524 163.288 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 64.8 t . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 109.967 -0.382 . . . . 70.519999999999996 109.967 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 61.6 mt -72.23 159.95 33.23 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.769 0.828 . . . . 51.020000000000003 111.21 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 38.5 t -89.32 114.57 25.98 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.484 0.714 . . . . 65.519999999999996 109.922 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.35 -44.24 46.16 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.343 0.657 . . . . 74.150000000000006 110.469 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -55.47 -40.27 71.44 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.966 0.907 . . . . 71.010000000000005 112.075 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -69.78 -44.59 69.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.303 0.641 . . . . 71.219999999999999 110.432 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.4 m -69.19 -36.35 77.22 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.898 -0.592 . . . . 65.299999999999997 112.089 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 61.8 mtm -71.45 -48.85 46.81 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.158 0.429 . . . . 70.010000000000005 112.158 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 67.3 p -97.14 -43.51 7.35 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.747 0.419 . . . . 75.150000000000006 111.167 -170.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 134.56 -35.6 2.19 Favored Glycine 0 C--N 1.341 0.855 0 N-CA-C 111.233 -0.747 . . . . 73.150000000000006 111.233 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -136.09 142.5 44.32 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.08 0.952 . . . . 44.329999999999998 109.477 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 45.1 t -85.58 123.28 30.81 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.601 0.761 . . . . 73.0 109.795 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -64.11 -24.62 67.76 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.681 0.792 . . . . 75.140000000000001 112.212 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -73.97 -38.23 64.24 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.438 0.695 . . . . 75.200000000000003 110.282 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.11 -117.1 9.21 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-N 115.747 -0.661 . . . . 61.420000000000002 112.785 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 58.0 p -76.92 -11.14 59.77 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.153 0.581 . . . . 71.349999999999994 111.464 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -93.37 7.44 44.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.714 0.805 . . . . 75.310000000000002 111.289 174.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 52.3 t -83.5 125.63 31.95 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.335 0.654 . . . . 71.010000000000005 109.857 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -91.38 16.33 10.37 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.605 0.762 . . . . 65.510000000000005 111.185 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -124.53 148.61 47.66 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.708 0.803 . . . . 64.409999999999997 110.64 -175.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.74 120.63 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.506 1.122 . . . . 73.439999999999998 111.503 -175.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -83.59 95.07 8.22 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.725 -0.472 . . . . 75.239999999999995 109.725 173.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 109.069 -0.715 . . . . 63.130000000000003 109.069 171.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.451 ' HB3' ' HG3' ' A' ' 100' ' ' LYS . 3.1 m-85 . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.336 0.589 . . . . 72.310000000000002 110.528 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.451 ' HG3' ' HB3' ' A' ' 99' ' ' PHE . 94.5 mttt 68.57 35.59 3.14 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 113.949 -1.478 . . . . 65.299999999999997 112.066 162.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.9 p -84.06 -5.34 59.22 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 115.206 -0.906 . . . . 72.329999999999998 111.387 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -144.29 155.99 44.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.542 1.137 . . . . 73.439999999999998 108.822 173.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.56 150.13 43.41 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.706 0.802 . . . . 75.239999999999995 112.7 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 40.5 t -80.8 122.47 27.21 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.292 -1.322 . . . . 73.049999999999997 109.374 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.435 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 31.3 t70 -65.19 -40.61 94.47 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.746 0.654 . . . . 53.350000000000001 110.226 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.3 -26.57 67.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.501 0.72 . . . . 54.439999999999998 111.992 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -77.33 -50.97 11.67 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.735 0.414 . . . . 72.319999999999993 110.31 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 14.0 ptmm? -76.41 -17.88 59.12 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.577 0.584 . . . . 75.329999999999998 112.577 -170.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -93.33 -39.99 10.65 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.946 0.498 . . . . 61.329999999999998 112.188 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.1 t -111.51 -9.04 14.22 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.095 0.776 . . . . 72.329999999999998 113.095 -168.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 65.86 -72.06 0.08 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 125.233 1.413 . . . . 73.140000000000001 110.284 -169.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.18 95.53 3.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.161 0.584 . . . . 75.329999999999998 109.778 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.454 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 41.4 t -76.81 125.01 28.56 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.9 -0.778 . . . . 63.109999999999999 108.9 175.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.4 p -70.09 -26.69 64.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.076 0.951 . . . . 64.450000000000003 112.39 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.62 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 26.1 m-85 -67.94 -44.56 76.53 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.085 0.954 . . . . 71.109999999999999 110.19 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.62 -111.6 4.26 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 115.774 -0.648 . . . . 73.010000000000005 112.912 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.05 -10.28 59.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.449 0.699 . . . . 64.219999999999999 111.414 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -79.45 -6.02 56.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.359 0.663 . . . . 65.430000000000007 111.476 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 48.5 m -75.17 132.88 41.47 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.442 0.639 . . . . 72.230000000000004 111.394 174.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.82 5.75 41.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.72 1.208 . . . . 65.340000000000003 108.975 170.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -116.74 158.76 23.33 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.044 1.338 . . . . 74.510000000000005 109.027 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.17 134.68 34.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.119 0.968 . . . . 72.200000000000003 113.438 -164.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -95.24 32.3 1.76 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.509 0.723 . . . . 71.349999999999994 111.006 173.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 153.17 177.11 26.39 Favored Glycine 0 C--N 1.343 0.939 0 CA-C-N 116.46 -0.337 . . . . 64.209999999999994 112.431 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 128' ' ' LEU . 12.6 p -69.14 -27.69 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.644 0.778 . . . . 74.530000000000001 111.256 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -70.7 -30.6 67.2 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.776 0.831 . . . . 74.049999999999997 110.702 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -81.93 -24.41 35.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.561 0.744 . . . . 61.340000000000003 111.025 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 125' ' ' VAL . 26.5 mt -65.92 119.94 12.2 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.413 0.685 . . . . 74.5 112.315 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 108.463 -0.94 . . . . 75.030000000000001 108.463 166.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 108.862 -0.792 . . . . 73.239999999999995 108.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.13 157.58 36.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.146 0.578 . . . . 64.310000000000002 111.331 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 150' ' ' PHE . 28.1 t -82.12 116.71 21.82 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.606 0.762 . . . . 60.310000000000002 110.108 -175.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.97 -47.72 82.13 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.208 1.003 . . . . 73.329999999999998 110.813 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -58.08 -48.6 79.66 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.254 -0.884 . . . . 75.409999999999997 110.835 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 147' ' ' CYS . 37.7 t80 -74.5 -25.25 59.24 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 115.1 -0.955 . . . . 74.329999999999998 111.247 -172.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.9 p -87.2 -35.88 18.31 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.749 0.42 . . . . 75.409999999999997 111.641 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 66.4 mtm -82.63 -49.03 10.27 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.839 0.456 . . . . 63.100000000000001 111.765 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.1 p -97.23 -38.37 9.72 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.016 0.436 . . . . 74.209999999999994 110.268 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 115.47 -15.21 17.66 Favored Glycine 0 C--N 1.348 1.233 0 CA-C-N 115.673 -0.694 . . . . 65.319999999999993 112.516 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -133.73 146.56 50.89 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.878 0.871 . . . . 64.310000000000002 109.477 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 147' ' ' CYS . 50.4 t -120.45 121.4 38.42 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.892 0.877 . . . . 64.329999999999998 109.182 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -70.51 -17.06 62.95 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.774 0.829 . . . . 74.209999999999994 111.927 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -73.45 -20.86 60.6 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.294 1.038 . . . . 63.119999999999997 111.085 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.26 -131.42 41.91 Favored Glycine 0 C--N 1.353 1.503 0 O-C-N 123.998 0.811 . . . . 55.340000000000003 113.575 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 71.1 p -71.34 -22.8 61.86 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.963 0.905 . . . . 73.150000000000006 111.99 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -92.35 9.73 32.84 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.363 0.665 . . . . 73.219999999999999 112.071 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.33 128.6 36.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.795 0.838 . . . . 75.209999999999994 111.058 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -83.7 3.8 31.49 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.124 0.97 . . . . 62.240000000000002 112.196 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.85 149.14 40.52 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.073 0.949 . . . . 72.340000000000003 109.687 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 31.9 mt -71.54 128.08 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.807 0.843 . . . . 64.430000000000007 110.918 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -90.84 95.0 9.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.366 0.667 . . . . 70.200000000000003 110.078 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.477 0.877 0 C-N-CA 123.692 0.797 . . . . 73.150000000000006 109.314 171.842 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.9 t80 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 108.78 -0.822 . . . . 74.219999999999999 108.78 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt 56.67 21.1 5.54 Favored 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 127.021 2.128 . . . . 74.25 113.451 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.2 p -89.4 -3.26 58.5 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.688 0.795 . . . . 74.540000000000006 112.08 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.12 159.39 40.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.063 0.945 . . . . 70.409999999999997 109.256 173.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.67 135.79 34.93 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.917 0.487 . . . . 71.019999999999996 110.898 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.39 112.83 6.19 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.435 1.094 . . . . 73.010000000000005 110.304 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.6 -39.47 91.34 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.733 0.813 . . . . 72.109999999999999 110.805 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.62 79.3 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.908 0.883 . . . . 72.25 111.753 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -68.36 -40.93 81.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.012 0.525 . . . . 75.25 110.391 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.495 ' HB2' ' HZ1' ' A' ' 108' ' ' LYS . 10.1 mtmp? -75.54 -28.97 59.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.157 -0.474 . . . . 70.400000000000006 111.99 -174.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -93.22 -43.6 8.75 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.99 0.516 . . . . 72.0 112.013 -177.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.1 t -113.48 -5.48 13.48 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.515 0.726 . . . . 54.229999999999997 112.591 -166.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 71.6 -62.04 0.47 Allowed 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.181 1.392 . . . . 72.5 110.189 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.68 142.64 48.25 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.484 0.714 . . . . 72.109999999999999 111.083 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.2 t -107.63 130.84 54.87 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.481 1.112 . . . . 72.319999999999993 108.406 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.0 m -66.58 -31.79 72.72 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.124 0.57 . . . . 62.420000000000002 111.467 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.55 -33.45 31.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.274 0.63 . . . . 73.310000000000002 110.892 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.33 -109.26 2.8 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.744 0.653 . . . . 52.130000000000003 112.661 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -79.02 -19.54 51.26 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.255 0.622 . . . . 75.409999999999997 111.663 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -90.77 12.32 19.59 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.368 0.667 . . . . 74.319999999999993 111.408 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 42.2 t -77.62 124.61 28.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.45 0.7 . . . . 72.150000000000006 109.375 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.41 14.91 7.19 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.034 0.533 . . . . 71.150000000000006 111.601 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -128.51 144.98 51.24 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.076 0.95 . . . . 72.239999999999995 109.476 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.12 141.36 54.69 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.454 1.102 . . . . 60.43 112.611 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -97.69 39.68 1.2 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.844 0.857 . . . . 63.109999999999999 110.451 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 150.86 165.47 12.81 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.238 -0.892 . . . . 72.019999999999996 111.779 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.5 p -68.28 -22.15 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.671 0.788 . . . . 61.119999999999997 110.903 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -71.31 -39.65 71.29 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.021 0.928 . . . . 73.030000000000001 110.661 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -84.13 -18.41 36.88 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.839 0.856 . . . . 74.239999999999995 110.329 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.8 tp -67.22 129.63 40.5 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.655 0.782 . . . . 63.299999999999997 111.297 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 34.3 mmt-85 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 107.049 -1.463 . . . . 61.240000000000002 107.049 169.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 109.418 -0.586 . . . . 51.509999999999998 109.418 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 97.4 mt -80.39 149.53 30.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.423 0.689 . . . . 75.230000000000004 110.676 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . 0.419 ' SG ' ' SG ' ' A' ' 162' ' ' CYS . 40.9 t -72.79 117.16 14.15 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.943 0.897 . . . . 41.240000000000002 110.352 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.05 -52.48 65.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.151 0.981 . . . . 71.25 110.847 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -58.03 -31.8 67.36 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.77 0.828 . . . . 73.230000000000004 111.688 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -79.5 -46.69 16.93 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.175 0.59 . . . . 75.209999999999994 110.596 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.1 p -73.92 -32.5 63.56 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.162 0.585 . . . . 52.350000000000001 112.304 -171.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.5 mtm -77.33 -40.97 42.27 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.995 0.518 . . . . 61.049999999999997 111.966 -176.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 65.2 p -105.71 -42.82 5.07 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.547 0.339 . . . . 73.420000000000002 111.835 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 137.55 -34.54 2.16 Favored Glycine 0 C--N 1.345 1.032 0 CA-C-N 116.241 -0.436 . . . . 61.310000000000002 112.21 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -135.83 149.39 49.04 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.737 0.815 . . . . 63.109999999999999 110.461 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.7 t -122.11 121.85 37.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.515 1.126 . . . . 41.299999999999997 109.09 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -67.92 -18.17 64.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.803 0.841 . . . . 75.230000000000004 112.771 -173.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -68.01 -37.35 81.31 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.801 0.841 . . . . 74.439999999999998 111.205 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.38 -116.2 8.51 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.518 0.511 . . . . 36.810000000000002 113.402 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.4 t -77.58 -14.3 59.69 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.413 0.685 . . . . 63.039999999999999 111.205 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -87.58 0.17 56.0 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.661 0.784 . . . . 74.310000000000002 111.25 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . 0.419 ' SG ' ' SG ' ' A' ' 147' ' ' CYS . 21.6 t -75.68 134.25 40.6 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 122.791 0.436 . . . . 72.430000000000007 110.928 -177.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -74.02 -26.07 60.22 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.999 0.92 . . . . 62.420000000000002 112.408 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -121.8 151.34 40.7 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.483 0.713 . . . . 65.329999999999998 111.115 -175.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.42 136.34 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.691 1.196 . . . . 64.439999999999998 112.627 -168.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -95.6 94.83 7.98 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.547 0.739 . . . . 74.319999999999993 110.065 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 107.694 -1.224 . . . . 70.109999999999999 107.694 169.2 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 CA--C 1.541 0.632 0 N-CA-C 109.837 -0.431 . . . . 73.140000000000001 109.837 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt 50.18 62.26 2.76 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 126.456 1.903 . . . . 63.520000000000003 113.733 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.0 p -82.63 -10.29 59.01 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.285 -1.325 . . . . 71.219999999999999 112.039 176.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.33 166.36 26.53 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.943 0.897 . . . . 61.229999999999997 109.712 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.2 mt -75.79 148.44 38.46 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.284 0.564 . . . . 70.519999999999996 110.829 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.2 t -75.09 112.95 11.87 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.771 1.228 . . . . 38.170000000000002 110.033 -175.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.24 -34.76 78.36 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.796 0.838 . . . . 72.049999999999997 111.642 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.87 89.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.339 0.656 . . . . 64.5 110.39 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -73.89 -33.99 64.23 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.887 -1.052 . . . . 75.540000000000006 111.346 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -76.05 -31.03 58.62 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.145 -0.347 . . . . 71.519999999999996 111.591 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -85.39 -50.43 7.31 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.798 0.439 . . . . 74.519999999999996 110.904 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.2 m -97.22 -4.78 38.36 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.684 0.624 . . . . 75.219999999999999 112.684 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 68.98 9.75 7.57 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.685 1.194 . . . . 75.310000000000002 112.254 -176.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.12 144.5 9.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.307 1.043 . . . . 71.040000000000006 109.549 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 19.2 t -121.09 129.46 53.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.103 0.961 . . . . 70.310000000000002 109.677 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.6 p -74.46 -21.86 59.39 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.034 0.934 . . . . 75.299999999999997 112.126 -176.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -70.94 -26.39 63.16 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.629 0.771 . . . . 62.409999999999997 111.099 -176.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.34 -128.39 33.21 Favored Glycine 0 C--N 1.355 1.624 0 O-C-N 123.5 0.5 . . . . 74.349999999999994 113.209 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -77.4 -15.14 59.51 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.023 0.529 . . . . 62.100000000000001 111.559 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -82.57 -0.59 47.58 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.239 0.616 . . . . 61.049999999999997 111.023 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.98 127.27 32.05 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.3 0.64 . . . . 62.020000000000003 110.106 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -80.0 3.82 18.95 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.374 0.67 . . . . 74.120000000000005 112.032 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -130.88 152.65 49.98 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.867 0.867 . . . . 72.349999999999994 110.31 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 127' ' ' GLU . . . -77.78 139.82 39.38 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.543 1.137 . . . . 55.32 112.825 -167.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -98.88 28.51 4.29 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.779 0.832 . . . . 74.5 110.261 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.24 149.94 7.16 Favored Glycine 0 C--N 1.339 0.704 0 N-CA-C 110.974 -0.85 . . . . 74.140000000000001 110.974 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.86 -24.75 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.56 0.744 . . . . 74.140000000000001 111.242 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -68.37 -32.16 72.05 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.093 0.957 . . . . 75.409999999999997 111.294 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 43.7 mt-10 -83.9 -9.01 59.04 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.08 0.552 . . . . 71.109999999999999 112.397 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.23 111.64 2.06 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.132 0.491 . . . . 54.409999999999997 111.845 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 106.638 -1.615 . . . . 73.400000000000006 106.638 173.285 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 108.58 -0.896 . . . . 72.540000000000006 108.58 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.99 139.83 58.38 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.905 0.482 . . . . 71.129999999999995 110.387 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.4 t -72.84 111.47 8.0 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.179 -0.674 . . . . 71.129999999999995 109.179 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -72.8 -40.33 65.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.549 0.531 . . . . 63.049999999999997 111.342 -172.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.91 -42.2 99.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.04 0.536 . . . . 72.420000000000002 110.812 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.95 -26.22 64.02 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.405 -0.816 . . . . 74.129999999999995 111.426 -176.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 60.0 p -87.09 -35.49 18.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.749 0.42 . . . . 45.039999999999999 111.572 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 74.3 mtm -76.91 -43.79 34.2 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.877 0.471 . . . . 73.310000000000002 111.622 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 44.6 p -104.81 -29.3 10.62 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.98 0.512 . . . . 71.209999999999994 111.261 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 94.97 4.21 61.62 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.873 -0.603 . . . . 53.450000000000003 112.066 -171.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -136.7 139.74 42.17 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.97 0.908 . . . . 74.409999999999997 110.103 -173.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 51.7 t -122.23 125.16 45.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.104 0.962 . . . . 74.209999999999994 108.975 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.584 ' HZ2' ' HB2' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -67.35 -24.94 65.77 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.397 0.679 . . . . 73.409999999999997 112.385 -173.374 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -80.53 -31.13 37.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.166 0.586 . . . . 74.400000000000006 110.751 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.14 -112.88 5.37 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.654 0.596 . . . . 53.229999999999997 112.286 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.1 p -76.4 -16.23 59.76 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.357 0.663 . . . . 72.040000000000006 111.352 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.57 12.51 18.58 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.193 0.997 . . . . 74.340000000000003 111.252 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.9 t -85.12 126.91 34.0 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.241 0.616 . . . . 73.540000000000006 111.251 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -78.08 -29.1 48.92 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.641 0.776 . . . . 63.539999999999999 110.536 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -79.92 143.56 34.13 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.048 0.539 . . . . 75.340000000000003 111.043 -176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 22.4 mt -70.19 109.11 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.637 1.175 . . . . 74.140000000000001 111.43 -169.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -73.6 107.67 6.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.043 0.537 . . . . 74.120000000000005 110.796 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--O 1.239 0.512 0 C-N-CA 123.948 0.899 . . . . 61.140000000000001 108.828 174.76 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.567 0.222 . . . . 72.239999999999995 111.11 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.567 ' HD3' ' HB3' ' A' ' 127' ' ' GLU . 15.8 ptpt 41.05 55.63 3.14 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.962 2.105 . . . . 72.319999999999993 115.573 167.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.4 p -83.37 -14.18 53.34 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.081 -0.963 . . . . 72.200000000000003 109.715 163.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.64 158.25 36.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.539 1.136 . . . . 65.420000000000002 110.223 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.57 158.5 32.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.891 0.876 . . . . 73.349999999999994 112.08 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 40.1 t -89.4 117.09 28.07 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.878 1.271 . . . . 71.200000000000003 110.257 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.95 -34.78 75.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.978 0.511 . . . . 52.229999999999997 110.818 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.31 -32.79 72.65 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.451 0.7 . . . . 71.150000000000006 111.326 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -74.38 -43.57 55.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.828 0.851 . . . . 63.009999999999998 110.456 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.496 ' HB2' ' HZ1' ' A' ' 108' ' ' LYS . 10.1 mtmp? -73.67 -24.75 60.01 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.966 0.506 . . . . 63.409999999999997 111.96 -175.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 109' ' ' ARG . 5.0 mmp_? -93.39 -51.1 5.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.232 0.613 . . . . 64.420000000000002 112.256 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.6 t -113.22 5.17 16.85 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.93 0.715 . . . . 74.519999999999996 112.93 -166.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 65.0 -79.5 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.373 1.069 . . . . 74.340000000000003 111.322 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.5 95.74 1.43 Allowed 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.516 0.726 . . . . 51.229999999999997 110.594 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 23.7 t -78.83 128.03 32.82 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.973 0.909 . . . . 72.400000000000006 109.135 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.5 m -57.02 -37.96 72.46 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.862 1.265 . . . . 73.239999999999995 114.221 -164.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -80.42 -29.53 37.65 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.052 0.541 . . . . 63.350000000000001 112.021 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.87 -103.17 0.79 Allowed Glycine 0 C--N 1.349 1.299 0 O-C-N 123.475 0.484 . . . . 73.450000000000003 112.967 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -75.27 -31.46 60.75 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.249 0.62 . . . . 74.120000000000005 110.677 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -84.77 7.31 21.1 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.555 0.742 . . . . 71.420000000000002 111.707 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.9 t -69.01 130.45 42.81 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.022 0.529 . . . . 64.209999999999994 110.112 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -64.64 -32.41 74.07 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 63.229999999999997 112.082 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -101.74 159.53 15.25 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.609 0.764 . . . . 73.430000000000007 110.948 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 100' ' ' LYS . . . -79.86 137.84 37.03 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.174 0.99 . . . . 55.329999999999998 112.539 -170.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -102.03 28.21 5.96 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.436 0.694 . . . . 75.319999999999993 109.977 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 172.99 162.52 25.22 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 116.323 -0.399 . . . . 75.409999999999997 112.76 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.2 p -63.67 -27.22 42.47 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 C-N-CA 124.329 1.052 . . . . 63.210000000000001 111.269 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -70.37 -33.63 71.65 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.309 1.044 . . . . 72.109999999999999 111.375 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.567 ' HB3' ' HD3' ' A' ' 100' ' ' LYS . 35.7 mt-10 -86.12 -1.42 57.38 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.099 0.56 . . . . 63.409999999999997 112.018 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.93 115.03 18.35 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.755 0.422 . . . . 71.329999999999998 111.31 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 108.626 -0.879 . . . . 73.010000000000005 108.626 171.009 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--O 1.24 0.588 0 N-CA-C 109.054 -0.721 . . . . 74.340000000000003 109.054 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.458 HD22 ' HB2' ' A' ' 167' ' ' LYS . 76.0 mt -74.16 152.51 39.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.466 0.706 . . . . 74.010000000000005 109.766 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 20.0 t -75.7 113.81 13.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.307 0.643 . . . . 74.340000000000003 110.095 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.1 -50.89 68.73 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.933 0.893 . . . . 74.540000000000006 110.76 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -55.15 -45.19 75.66 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.949 0.899 . . . . 72.349999999999994 111.472 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -67.06 -27.74 67.63 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.1 -0.954 . . . . 72.549999999999997 111.208 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 38.7 m -88.63 -28.33 20.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.448 0.699 . . . . 70.420000000000002 112.468 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.0 mtm -86.71 -52.18 5.67 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.124 0.57 . . . . 73.140000000000001 111.421 -174.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.7 p -95.26 -31.99 13.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.276 0.63 . . . . 75.209999999999994 110.232 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 116.12 -20.84 12.52 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.547 -0.751 . . . . 37.149999999999999 112.114 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.69 150.88 52.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.573 0.749 . . . . 71.219999999999999 110.188 -177.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 39.0 t -118.54 119.61 35.03 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.185 -1.043 . . . . 53.299999999999997 108.185 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -75.59 -21.08 58.13 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.047 0.539 . . . . 74.019999999999996 111.927 -172.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -66.65 -39.34 88.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.598 0.759 . . . . 72.409999999999997 110.516 176.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.23 -112.54 5.08 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 123.625 0.578 . . . . 53.340000000000003 112.569 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.5 p -68.97 -29.43 67.64 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.765 0.826 . . . . 73.219999999999999 110.982 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 -7.91 55.63 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.05 0.94 . . . . 74.329999999999998 111.463 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 46.6 t -77.27 124.41 27.81 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 108.897 -0.779 . . . . 70.010000000000005 108.897 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -85.25 -13.77 48.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.809 0.844 . . . . 65.239999999999995 111.481 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -88.81 149.96 23.15 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.899 0.88 . . . . 71.430000000000007 111.024 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 35.5 mt -62.31 111.65 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.163 0.985 . . . . 75.409999999999997 110.606 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -74.31 91.26 2.17 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.569 0.699 . . . . 74.420000000000002 109.195 170.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.458 ' HB2' HD22 ' A' ' 146' ' ' LEU . 27.6 tptp . . . . . 0 C--O 1.237 0.431 0 N-CA-C 107.034 -1.469 . . . . 64.25 107.034 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.264 -0.273 . . . . 72.239999999999995 110.264 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.594 ' HG3' ' HD3' ' A' ' 129' ' ' ARG . 0.4 OUTLIER 46.1 32.43 1.41 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 126.622 1.969 . . . . 65.510000000000005 114.913 170.41 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.5 p -82.71 -18.42 40.93 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.405 -0.816 . . . . 62.109999999999999 110.009 170.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -123.93 156.75 35.76 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.896 1.279 . . . . 73.200000000000003 108.828 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -74.66 157.4 35.4 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.365 0.666 . . . . 62.530000000000001 111.854 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.2 t -79.32 121.1 24.69 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 124.196 0.998 . . . . 64.239999999999995 109.709 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 40.4 m-20 -66.14 -30.38 70.85 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.137 0.575 . . . . 62.240000000000002 111.424 -178.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.02 68.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.141 0.577 . . . . 72.400000000000006 111.127 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 73.4 t80 -81.42 -30.91 33.4 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.104 0.562 . . . . 72.510000000000005 111.3 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.436 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 17.5 ptpt -84.44 -38.06 20.64 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 122.319 -0.238 . . . . 74.310000000000002 111.084 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -90.52 -51.08 5.58 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.735 0.414 . . . . 74.409999999999997 111.162 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.5 t -99.01 -21.8 16.05 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.433 0.693 . . . . 74.310000000000002 111.651 -173.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 95.4 mt-30 74.84 -53.64 0.67 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.675 1.59 . . . . 75.030000000000001 111.328 -172.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.73 123.68 23.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.362 0.665 . . . . 74.230000000000004 110.403 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -109.2 126.35 53.19 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.221 1.008 . . . . 74.120000000000005 109.538 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.0 m -69.1 -31.04 69.48 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.637 0.775 . . . . 75.140000000000001 112.036 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -68.47 -32.0 71.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.051 0.54 . . . . 75.120000000000005 111.061 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.79 -120.23 12.27 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 123.633 0.583 . . . . 71.310000000000002 112.695 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -77.66 -18.51 56.62 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.61 0.764 . . . . 64.510000000000005 111.403 178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -82.49 1.24 38.65 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.482 0.713 . . . . 75.120000000000005 111.785 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 37.9 t -67.36 117.25 9.09 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 122.997 0.519 . . . . 61.009999999999998 110.457 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -66.8 -34.61 78.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.549 0.74 . . . . 70.409999999999997 110.279 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -80.37 161.44 25.0 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.203 1.001 . . . . 74.549999999999997 111.873 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.24 128.12 32.91 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.108 0.963 . . . . 51.109999999999999 112.941 -170.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -97.42 68.95 2.2 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.626 0.77 . . . . 64.400000000000006 109.311 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.71 162.49 11.64 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-N 115.722 -0.672 . . . . 63.229999999999997 112.096 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.2 p -70.08 -24.57 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.304 0.642 . . . . 75.230000000000004 111.309 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -69.92 -31.22 68.87 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.305 0.642 . . . . 73.230000000000004 110.778 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -77.7 -15.4 59.18 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.83 0.852 . . . . 72.329999999999998 112.171 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 mt -67.18 116.6 8.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.726 0.41 . . . . 72.049999999999997 111.133 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.594 ' HD3' ' HG3' ' A' ' 100' ' ' LYS . 10.6 mpt_? . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 108.05 -1.093 . . . . 75.409999999999997 108.05 167.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 109.392 -0.595 . . . . 75.209999999999994 109.392 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.56 148.88 48.83 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.334 0.653 . . . . 71.439999999999998 110.851 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.8 t -82.53 113.17 20.07 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.557 -0.905 . . . . 73.349999999999994 108.557 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -67.99 -49.93 58.67 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.458 0.703 . . . . 72.430000000000007 111.151 -171.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.95 -30.24 69.49 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.19 -0.459 . . . . 73.519999999999996 111.746 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -74.76 -23.23 58.5 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 110.016 -0.364 . . . . 72.140000000000001 110.016 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.1 t -86.03 -30.49 22.63 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.291 0.636 . . . . 73.540000000000006 111.087 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.2 mtm -90.48 -53.22 4.53 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.866 0.466 . . . . 73.230000000000004 111.762 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 36.2 p -96.65 -20.64 18.14 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.106 0.562 . . . . 75.430000000000007 110.91 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 90.27 -0.3 78.03 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.219 -0.446 . . . . 60.200000000000003 112.925 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -131.92 144.33 50.76 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.457 0.703 . . . . 74.219999999999999 110.946 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 42.3 t -122.84 122.78 39.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.59 1.156 . . . . 75.340000000000003 108.911 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.531 ' HB3' ' HZ1' ' A' ' 157' ' ' LYS . 0.5 OUTLIER -72.57 -15.79 61.75 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.887 0.875 . . . . 74.420000000000002 112.6 -174.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -86.73 -27.06 23.9 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.331 0.652 . . . . 74.439999999999998 111.025 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.93 -125.74 30.76 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 111.827 -0.509 . . . . 74.340000000000003 111.827 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.4 p -71.98 -15.65 62.06 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 117.394 0.597 . . . . 71.409999999999997 112.208 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 57.7 mtm-85 -73.73 -15.78 61.2 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.44 0.696 . . . . 74.010000000000005 111.623 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.61 127.8 34.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.886 0.874 . . . . 64.510000000000005 110.385 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -85.07 9.12 15.65 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.454 0.702 . . . . 73.200000000000003 111.911 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -113.17 149.5 33.57 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.907 0.883 . . . . 74.340000000000003 110.533 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 44.3 mt -64.08 120.08 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.458 1.103 . . . . 72.409999999999997 110.842 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -92.46 94.14 8.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.89 0.476 . . . . 71.109999999999999 110.051 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.9 mttp . . . . . 0 N--CA 1.47 0.542 0 N-CA-C 108.159 -1.052 . . . . 64.310000000000002 108.159 168.798 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.621 0.248 . . . . 75.230000000000004 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 65.91 15.99 10.29 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.054 1.342 . . . . 75.519999999999996 112.899 167.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.8 p -79.43 -15.33 58.0 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.625 0.77 . . . . 73.239999999999995 110.972 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.46 142.28 49.18 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.4 1.08 . . . . 72.109999999999999 108.808 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.0 149.69 44.28 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.398 0.618 . . . . 73.120000000000005 111.681 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.463 ' SG ' ' SG ' ' A' ' 113' ' ' CYS . 53.0 t -81.93 112.83 19.39 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.848 -1.069 . . . . 65.420000000000002 109.333 177.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.69 -42.77 97.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.72 0.808 . . . . 75.400000000000006 110.489 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.39 -35.29 75.41 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 124.113 0.883 . . . . 62.350000000000001 111.68 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -70.73 -47.45 59.66 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.899 0.48 . . . . 73.420000000000002 110.489 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -62.71 -40.5 97.36 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.972 0.509 . . . . 75.319999999999993 111.852 -175.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -79.75 -28.72 40.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.969 0.508 . . . . 75.310000000000002 111.927 -172.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 m -113.25 -6.82 13.58 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.031 0.752 . . . . 63.210000000000001 113.031 -174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 67.34 13.64 9.43 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.879 1.272 . . . . 73.239999999999995 111.632 -172.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -170.59 134.11 1.06 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.316 1.446 . . . . 74.120000000000005 108.411 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.463 ' SG ' ' SG ' ' A' ' 104' ' ' CYS . 53.4 t -82.75 143.43 30.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.406 0.682 . . . . 53.25 110.916 -177.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.5 p -66.29 -41.58 89.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.953 0.901 . . . . 74.540000000000006 111.567 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.451 ' HB2' ' HB2' ' A' ' 119' ' ' CYS . 81.4 m-85 -81.09 -33.12 33.57 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.291 0.636 . . . . 74.420000000000002 111.27 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 63.6 -103.32 0.67 Allowed Glycine 0 C--N 1.349 1.287 0 O-C-N 123.977 0.798 . . . . 75.219999999999999 113.179 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -73.74 -24.55 59.9 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.444 0.698 . . . . 71.129999999999995 111.315 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.401 ' HB2' ' HB3' ' A' ' 115' ' ' TYR . 18.5 mm-40 -77.52 -14.23 59.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.162 0.585 . . . . 75.340000000000003 111.473 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 115' ' ' TYR . 53.7 t -82.24 126.43 32.09 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.328 0.651 . . . . 75.230000000000004 109.97 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -91.03 -6.45 53.89 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.142 0.577 . . . . 54.149999999999999 111.55 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -82.71 159.65 22.53 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.647 0.779 . . . . 74.25 111.311 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.64 127.01 31.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.144 0.978 . . . . 51.149999999999999 112.732 -175.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -101.19 66.89 1.15 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.28 1.032 . . . . 75.140000000000001 108.79 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.82 165.63 14.47 Favored Glycine 0 N--CA 1.471 1.02 0 CA-C-N 115.204 -0.907 . . . . 60.219999999999999 111.7 -174.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.24 -21.2 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 122.64 0.376 . . . . 72.040000000000006 111.413 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -69.7 -33.01 71.94 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.032 0.444 . . . . 72.010000000000005 110.113 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -80.61 -24.73 38.89 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.583 -0.735 . . . . 64.409999999999997 111.062 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.08 111.55 3.94 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.93 -0.767 . . . . 73.129999999999995 108.93 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 . . . . . 0 N--CA 1.468 0.427 0 C-N-CA 124.641 1.176 . . . . 60.149999999999999 109.331 -176.379 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.758 -0.46 . . . . 74.420000000000002 109.758 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.435 HD21 ' HB ' ' A' ' 165' ' ' ILE . 92.8 mt -69.96 152.66 44.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.46 0.704 . . . . 72.450000000000003 110.929 176.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 24.7 t -84.81 114.0 21.76 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.202 0.601 . . . . 73.230000000000004 109.392 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -71.22 -42.23 69.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.301 0.641 . . . . 53.32 109.936 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -62.84 -32.59 73.83 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.268 0.627 . . . . 74.200000000000003 111.42 -177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -67.59 -50.29 59.0 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.319 0.648 . . . . 75.430000000000007 110.268 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.7 p -74.27 -34.66 63.63 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.268 0.627 . . . . 38.859999999999999 112.38 -172.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.7 mtm -75.79 -39.68 56.51 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.939 0.496 . . . . 73.209999999999994 112.33 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 43.6 p -96.5 -42.66 7.98 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.802 0.334 . . . . 71.430000000000007 110.659 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 141.14 -35.74 1.81 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 111.484 -0.646 . . . . 61.509999999999998 111.484 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -147.29 163.95 34.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.99 0.916 . . . . 63.43 110.61 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 36.4 t -120.5 120.46 35.93 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.375 1.07 . . . . 71.219999999999999 108.411 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -23.67 61.41 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.593 0.757 . . . . 65.140000000000001 112.614 -170.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 23.7 m-85 -66.45 -42.09 88.15 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.034 0.534 . . . . 74.430000000000007 111.811 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.91 -102.85 0.62 Allowed Glycine 0 C--N 1.347 1.144 0 O-C-N 123.651 0.595 . . . . 62.329999999999998 112.859 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 8.8 t -76.48 -20.66 56.75 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.671 0.788 . . . . 71.530000000000001 111.453 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 70.2 mtp180 -73.7 -26.02 60.51 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.326 0.651 . . . . 71.200000000000003 110.337 175.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.29 122.96 23.7 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.747 0.819 . . . . 73.409999999999997 109.889 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -79.14 -11.64 59.98 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.52 0.728 . . . . 71.120000000000005 111.826 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -93.9 149.65 21.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.76 0.824 . . . . 71.420000000000002 111.162 -174.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.435 ' HB ' HD21 ' A' ' 146' ' ' LEU . 61.6 mt -65.28 125.24 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.547 1.139 . . . . 62.439999999999998 110.909 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -97.07 94.83 7.38 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.469 0.708 . . . . 75.109999999999999 109.426 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.8 mttp . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 107.839 -1.171 . . . . 73.5 107.839 168.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--O 1.242 0.662 0 N-CA-C 108.11 -1.071 . . . . 74.109999999999999 108.11 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 121' ' ' PHE . 16.9 ptpt 46.13 47.28 13.08 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.301 1.84 . . . . 73.510000000000005 113.052 -177.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -84.49 -18.66 35.11 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 113.89 -1.504 . . . . 73.340000000000003 110.941 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.21 165.93 18.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.247 1.019 . . . . 60.43 109.265 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.8 mt -77.55 148.18 35.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.835 0.454 . . . . 63.43 110.739 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.5 t -75.51 122.62 24.14 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.462 1.105 . . . . 75.450000000000003 110.389 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.29 -46.48 79.76 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.284 1.034 . . . . 73.5 111.278 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.08 77.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.685 0.794 . . . . 44.520000000000003 111.698 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -70.71 -31.08 67.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.559 0.743 . . . . 74.239999999999995 111.295 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -84.62 -34.31 23.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.637 0.375 . . . . 54.25 111.719 -177.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -86.31 -45.23 11.43 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.161 0.43 . . . . 71.230000000000004 112.161 -174.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.4 p -113.03 -2.04 14.31 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.028 0.531 . . . . 53.229999999999997 112.185 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 69.16 -71.12 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.093 1.357 . . . . 72.150000000000006 111.651 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.94 94.96 2.4 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.445 -0.576 . . . . 74.310000000000002 109.445 172.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 49.0 t -71.66 125.54 27.38 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.113 0.965 . . . . 74.230000000000004 110.109 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.8 t -71.8 -26.31 62.36 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.726 0.811 . . . . 61.25 111.655 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.55 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 42.1 m-85 -74.38 -24.73 59.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.669 0.788 . . . . 72.310000000000002 111.161 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.3 -142.46 44.48 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.415 0.447 . . . . 64.340000000000003 113.199 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -65.29 -17.29 64.39 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.33 0.652 . . . . 63.539999999999999 111.952 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -77.54 3.82 12.69 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.077 0.951 . . . . 75.540000000000006 111.92 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.596 ' SG ' ' SG ' ' A' ' 113' ' ' CYS . 80.8 m -63.6 138.83 58.66 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.851 0.86 . . . . 53.420000000000002 111.58 172.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -78.72 -6.17 55.12 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.52 0.728 . . . . 73.0 111.089 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.566 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 51.6 m-85 -124.84 159.69 30.48 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.165 0.986 . . . . 73.319999999999993 110.548 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.57 148.15 37.21 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.891 1.277 . . . . 52.240000000000002 112.819 -172.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -105.96 29.06 7.01 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.304 1.042 . . . . 73.530000000000001 109.908 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.71 157.29 18.25 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 115.766 -0.652 . . . . 54.43 111.931 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.5 -23.73 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 123.834 0.854 . . . . 61.299999999999997 111.351 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -72.66 -34.4 67.22 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.663 0.785 . . . . 75.109999999999999 110.916 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -85.09 1.08 49.39 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.187 0.595 . . . . 73.030000000000001 111.85 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.5 114.47 8.64 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.419 0.287 . . . . 62.130000000000003 110.656 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 107.578 -1.268 . . . . 75.230000000000004 107.578 164.729 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 109.46 -0.571 . . . . 72.040000000000006 109.46 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 59.1 mt -77.39 148.12 35.68 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.154 0.582 . . . . 75.340000000000003 109.49 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 15.4 t -69.67 113.32 6.82 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.145 -0.687 . . . . 65.200000000000003 109.145 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.96 -52.61 63.34 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.896 0.878 . . . . 75.010000000000005 111.792 -168.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -69.73 -29.72 67.16 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.98 -0.554 . . . . 64.209999999999994 111.045 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -73.92 -22.56 59.64 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 109.851 -0.425 . . . . 75.209999999999994 109.851 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 51.0 m -84.06 -43.82 14.71 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.481 0.712 . . . . 45.43 111.363 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.0 mtm -83.08 -54.33 5.13 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.084 0.554 . . . . 62.450000000000003 111.687 -171.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 22.0 p -96.13 -17.33 20.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.067 0.547 . . . . 73.310000000000002 110.074 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 85.2 5.18 85.82 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 116.007 -0.542 . . . . 60.25 113.076 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -134.76 133.97 40.46 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.842 0.857 . . . . 73.329999999999998 110.433 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 35.1 t -121.74 123.2 41.28 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.116 0.966 . . . . 71.5 108.739 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.51 ' HB2' ' HZ3' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -67.68 -25.15 65.55 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.635 0.774 . . . . 61.310000000000002 112.525 -174.009 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -75.11 -31.81 61.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.479 0.712 . . . . 74.219999999999999 111.523 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.01 -115.83 8.57 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.644 0.59 . . . . 42.340000000000003 112.979 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.2 p -71.13 -24.31 62.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.206 0.602 . . . . 71.329999999999998 111.788 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -84.24 2.62 39.12 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.176 0.59 . . . . 74.230000000000004 112.153 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.32 129.28 37.69 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.128 0.571 . . . . 73.319999999999993 110.729 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -86.37 -0.16 55.31 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.068 0.547 . . . . 73.200000000000003 111.966 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -111.51 150.42 29.97 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.664 0.785 . . . . 72.120000000000005 110.39 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.62 115.3 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.865 0.866 . . . . 62.350000000000001 111.767 -173.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -81.59 102.61 10.75 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.045 0.538 . . . . 74.530000000000001 111.071 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp . . . . . 0 C--O 1.242 0.667 0 C-N-CA 124.022 0.929 . . . . 61.009999999999998 108.934 169.885 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.09 -0.707 . . . . 73.109999999999999 109.09 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.469 ' HD3' ' HB3' ' A' ' 127' ' ' GLU . 17.9 ptpt 45.72 37.76 3.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.481 1.912 . . . . 73.109999999999999 113.978 178.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.1 p -88.49 -11.98 44.27 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.255 -0.884 . . . . 72.439999999999998 110.85 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.51 158.9 39.68 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.635 1.174 . . . . 75.540000000000006 109.046 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.3 mt -76.2 156.24 33.8 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.231 0.613 . . . . 64.439999999999998 112.459 -173.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 47.4 t -88.84 123.67 33.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.513 1.125 . . . . 70.299999999999997 110.614 -175.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.506 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 63.5 m-20 -70.44 -29.53 66.14 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.443 0.697 . . . . 72.310000000000002 111.288 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.18 69.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.331 0.653 . . . . 71.209999999999994 111.041 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -78.25 -42.46 31.06 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.377 0.671 . . . . 73.420000000000002 110.938 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.506 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 17.9 ptpt -76.89 -36.4 56.72 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.18 0.192 . . . . 74.120000000000005 111.505 -174.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -91.38 -52.27 4.88 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.74 0.416 . . . . 73.310000000000002 111.945 -174.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.2 t -95.95 -26.37 15.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.079 0.552 . . . . 63.43 111.305 -173.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 65.41 20.23 11.73 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.565 1.146 . . . . 62.340000000000003 111.116 -172.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -149.28 104.79 3.42 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.991 0.917 . . . . 61.200000000000003 109.125 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.4 t -103.95 126.84 51.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.088 0.955 . . . . 63.200000000000003 109.233 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.9 p -73.93 -37.65 64.52 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.701 0.8 . . . . 65.150000000000006 112.075 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -72.49 -29.29 63.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.991 0.516 . . . . 74.400000000000006 111.878 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.9 -108.28 2.31 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.705 0.628 . . . . 72.530000000000001 113.295 176.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -75.5 -27.64 58.86 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.458 0.703 . . . . 72.109999999999999 110.91 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.65 3.35 37.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.181 0.593 . . . . 71.420000000000002 111.406 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.8 t -71.66 118.54 14.62 Favored 'General case' 0 C--N 1.348 0.501 0 N-CA-C 109.313 -0.625 . . . . 72.340000000000003 109.313 173.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.63 14.11 1.11 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.428 0.691 . . . . 72.530000000000001 112.339 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -131.29 141.38 49.95 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.288 1.035 . . . . 75.310000000000002 109.516 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.38 138.73 45.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.656 1.182 . . . . 61.340000000000003 112.696 -170.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -97.26 28.82 3.45 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.776 0.83 . . . . 53.25 110.197 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 158.66 171.07 24.03 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.754 -0.657 . . . . 71.340000000000003 111.651 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.6 p -70.42 -24.78 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.275 0.63 . . . . 72.219999999999999 111.075 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -65.34 -34.21 77.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.901 0.88 . . . . 74.420000000000002 110.896 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.469 ' HB3' ' HD3' ' A' ' 100' ' ' LYS . 46.2 mt-10 -86.08 -12.6 49.68 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.615 0.766 . . . . 74.420000000000002 111.962 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.2 mt -67.93 112.68 5.09 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.395 0.543 . . . . 53.030000000000001 110.338 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 N--CA 1.472 0.675 0 N-CA-C 107.387 -1.338 . . . . 73.319999999999993 107.387 167.204 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.292 -0.633 . . . . 62.119999999999997 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.35 153.22 40.59 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.254 0.622 . . . . 72.439999999999998 111.224 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 11.7 t -86.86 114.26 23.36 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.482 0.713 . . . . 74.209999999999994 109.556 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -64.76 -51.7 60.89 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.661 0.785 . . . . 61.0 110.64 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.37 -45.25 95.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.6 -0.727 . . . . 74.409999999999997 111.436 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.434 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 47.6 t80 -71.55 -23.73 61.81 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.089 -0.505 . . . . 74.450000000000003 111.813 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.0 p -85.97 -36.23 19.94 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 122.3 -0.25 . . . . 64.299999999999997 111.19 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 69.8 mtm -86.12 -52.34 5.74 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.918 0.487 . . . . 75.109999999999999 111.92 -174.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 62.9 p -95.85 -26.68 15.53 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.977 0.511 . . . . 64.299999999999997 110.625 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 88.51 2.25 79.7 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.769 -0.65 . . . . 74.239999999999995 112.694 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -125.31 128.36 48.11 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.161 0.984 . . . . 75.409999999999997 109.203 -175.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 49.5 t -121.42 122.58 40.1 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.617 0.767 . . . . 72.150000000000006 109.235 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.66 -52.24 62.97 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.215 1.406 . . . . 65.219999999999999 111.919 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -70.65 -24.74 62.76 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 114.912 -1.04 . . . . 72.439999999999998 112.427 -173.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.82 -117.87 9.14 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 123.457 0.473 . . . . 44.130000000000003 113.272 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 36.2 p -75.67 -29.72 59.16 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.888 0.475 . . . . 73.109999999999999 110.873 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -75.45 -0.53 20.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.294 0.638 . . . . 74.409999999999997 112.121 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 51.5 t -63.24 122.25 15.68 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.14 0.576 . . . . 73.439999999999998 109.826 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -81.07 12.0 3.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.043 0.937 . . . . 53.219999999999999 111.779 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -121.73 149.24 43.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.602 1.161 . . . . 74.430000000000007 110.324 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.405 HG21 ' HG2' ' A' ' 167' ' ' LYS . 25.7 mt -68.34 121.35 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.909 0.884 . . . . 74.200000000000003 110.487 -178.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -85.9 98.99 11.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.297 0.639 . . . . 62.340000000000003 110.827 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.405 ' HG2' HG21 ' A' ' 165' ' ' ILE . 32.4 mmmt . . . . . 0 N--CA 1.472 0.661 0 C-N-CA 123.846 0.858 . . . . 72.040000000000006 109.351 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 C--O 1.24 0.569 0 N-CA-C 109.247 -0.649 . . . . 74.230000000000004 109.247 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.516 ' HB2' ' HD3' ' A' ' 129' ' ' ARG . 31.6 mmtp 62.26 21.95 12.84 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.351 1.46 . . . . 64.0 111.828 174.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.2 p -78.63 -8.14 58.35 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.923 0.889 . . . . 71.0 112.633 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.3 165.21 29.95 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.656 0.782 . . . . 55.130000000000003 110.138 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.79 149.84 47.52 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.177 0.591 . . . . 73.329999999999998 111.453 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.0 t -88.93 120.32 30.23 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.668 0.787 . . . . 72.310000000000002 110.243 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.41 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 29.6 t70 -66.28 -37.16 84.81 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.622 0.769 . . . . 74.219999999999999 110.481 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.97 -22.1 64.13 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.555 0.742 . . . . 75.129999999999995 112.032 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 87.5 t80 -86.99 -36.12 18.43 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 122.995 0.518 . . . . 65.219999999999999 111.206 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 14.5 ptmm? -86.31 -37.88 18.07 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 111.979 0.363 . . . . 71.430000000000007 111.979 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -92.73 -50.53 5.53 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.635 0.774 . . . . 72.319999999999993 111.896 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.2 t -92.7 -12.93 30.21 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.042 0.537 . . . . 71.230000000000004 111.66 -175.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 23.6 tp60 69.59 -67.8 0.21 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.624 1.57 . . . . 70.230000000000004 111.505 -175.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.21 106.48 7.85 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.147 0.579 . . . . 71.310000000000002 110.034 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.77 125.75 30.08 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.846 0.858 . . . . 73.430000000000007 109.594 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.5 p -67.92 -32.59 73.16 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.823 0.849 . . . . 71.530000000000001 112.128 -172.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -72.96 -41.39 64.47 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.703 0.401 . . . . 75.319999999999993 111.091 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.16 -107.46 1.97 Allowed Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.992 -0.549 . . . . 61.530000000000001 112.551 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -73.82 -19.78 60.65 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.351 0.661 . . . . 75.219999999999999 111.56 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -89.02 0.73 56.42 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.585 0.754 . . . . 70.25 111.697 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 45.9 t -71.48 130.55 41.56 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.153 0.581 . . . . 70.349999999999994 110.367 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -81.18 -7.06 59.49 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.062 0.545 . . . . 75.400000000000006 111.284 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -110.25 154.43 23.43 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.964 0.905 . . . . 72.319999999999993 110.561 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.39 138.72 43.55 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.778 1.231 . . . . 73.120000000000005 112.487 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -108.77 29.19 7.68 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.713 0.805 . . . . 74.099999999999994 109.916 174.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.84 154.7 13.2 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 111.809 -0.516 . . . . 75.340000000000003 111.809 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.496 ' HA ' HD23 ' A' ' 128' ' ' LEU . 12.1 p -63.05 -32.81 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.045 0.938 . . . . 74.329999999999998 111.555 -177.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -68.05 -24.44 65.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.18 0.992 . . . . 61.0 111.588 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -86.4 -7.44 58.44 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.242 -0.885 . . . . 73.019999999999996 113.168 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 125' ' ' VAL . 4.3 mm? -67.47 110.34 3.59 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 119.73 1.15 . . . . 71.25 111.206 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 100' ' ' LYS . 10.7 mpt_? . . . . . 0 N--CA 1.47 0.574 0 C-N-CA 124.312 1.045 . . . . 61.119999999999997 109.205 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.0 t . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 108.542 -0.911 . . . . 72.450000000000003 108.542 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 56.8 mt -77.16 157.56 30.87 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.984 0.513 . . . . 72.099999999999994 111.804 -175.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 162' ' ' CYS . 42.1 t -76.2 118.66 19.16 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.386 1.074 . . . . 64.409999999999997 110.146 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.57 -47.91 83.71 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.471 1.108 . . . . 75.540000000000006 111.097 -175.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.68 -43.28 97.15 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.163 -0.926 . . . . 73.319999999999993 110.924 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.83 -24.11 61.65 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.703 -0.68 . . . . 64.219999999999999 110.442 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.4 t -80.68 -34.46 34.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.458 0.703 . . . . 55.310000000000002 111.137 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.7 mtm -86.02 -52.52 5.65 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.134 0.574 . . . . 55.240000000000002 111.496 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 35.9 p -97.01 -19.47 18.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.245 0.618 . . . . 73.209999999999994 111.307 -172.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 88.66 -3.21 85.01 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-N 116.259 -0.428 . . . . 54.549999999999997 112.549 -174.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -136.58 143.16 43.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.86 0.864 . . . . 61.439999999999998 110.227 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 53.6 t -122.07 138.16 54.55 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.989 0.915 . . . . 71.409999999999997 108.929 175.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -77.02 -50.76 12.39 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.678 0.791 . . . . 74.25 111.652 -174.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . 0.424 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 35.4 m-85 -65.99 -28.87 69.22 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 113.056 0.761 . . . . 74.200000000000003 113.056 -174.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.84 -109.07 2.71 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 123.186 0.304 . . . . 65.239999999999995 113.111 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 15.0 t -72.58 -24.36 61.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.999 0.519 . . . . 71.329999999999998 110.745 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.424 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 56.5 mtp180 -77.17 -11.42 59.82 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.711 0.804 . . . . 74.450000000000003 111.769 177.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 147' ' ' CYS . 43.0 t -71.48 137.73 48.42 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 123.064 0.545 . . . . 72.120000000000005 110.537 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.72 -49.89 48.87 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.397 -0.82 . . . . 72.200000000000003 111.19 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -93.38 151.44 19.76 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.064 0.946 . . . . 71.129999999999995 111.926 -166.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.23 129.71 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 124.517 1.127 . . . . 62.25 112.227 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -86.56 94.17 9.37 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.159 -0.682 . . . . 75.120000000000005 109.159 172.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.9 tptp . . . . . 0 C--O 1.241 0.614 0 N-CA-C 108.227 -1.027 . . . . 73.530000000000001 108.227 178.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 32.3 t80 . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 106.187 -1.783 . . . . 72.219999999999999 106.187 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt 53.47 15.77 0.78 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 126.023 1.729 . . . . 75.340000000000003 113.358 -174.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 p -85.54 0.47 52.34 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.177 0.991 . . . . 71.230000000000004 110.597 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -143.08 154.05 43.55 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.199 1.4 . . . . 50.420000000000002 108.308 172.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.25 156.36 38.57 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 121.655 0.74 . . . . 71.209999999999994 112.672 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 35.1 t -87.44 114.54 24.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.915 1.286 . . . . 75.049999999999997 109.642 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -68.59 -38.66 80.84 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.216 0.606 . . . . 74.310000000000002 110.901 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.85 70.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.701 0.801 . . . . 72.140000000000001 111.593 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -74.49 -33.25 62.8 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.393 0.677 . . . . 74.519999999999996 110.934 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -84.68 -26.2 27.92 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 122.623 0.369 . . . . 72.040000000000006 111.509 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -91.0 -51.74 5.19 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.957 0.503 . . . . 73.310000000000002 111.299 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.7 t -87.44 -13.51 43.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.299 0.64 . . . . 71.25 111.657 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 75.58 -65.51 0.32 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.08 1.352 . . . . 53.450000000000003 109.229 -175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.35 109.26 18.88 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.162 0.585 . . . . 71.140000000000001 109.524 170.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.0 t -70.43 132.25 45.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.72 0.808 . . . . 71.219999999999999 109.912 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.7 m -62.7 -37.76 87.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.811 0.845 . . . . 62.119999999999997 112.318 -172.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -75.73 -29.23 58.83 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.698 0.399 . . . . 74.219999999999999 110.995 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.96 -121.58 16.79 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.219 -0.446 . . . . 60.439999999999998 112.186 -177.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.04 -14.4 61.41 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.117 0.567 . . . . 73.239999999999995 111.668 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -83.95 -0.53 51.83 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.652 0.781 . . . . 72.239999999999995 111.332 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' A' ' 104' ' ' CYS . 48.1 t -71.81 128.11 34.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.712 0.805 . . . . 73.409999999999997 110.684 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -70.52 -22.48 62.62 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.049 0.94 . . . . 71.400000000000006 112.311 -175.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -103.0 161.16 13.99 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.639 0.775 . . . . 73.049999999999997 111.098 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.08 136.4 41.16 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.698 1.199 . . . . 71.439999999999998 113.112 -170.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -98.7 85.53 3.35 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.724 0.81 . . . . 74.209999999999994 109.535 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.76 157.32 33.48 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 115.667 -0.697 . . . . 75.120000000000005 111.683 -174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.05 -23.13 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.342 0.657 . . . . 54.109999999999999 110.486 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -68.14 -37.18 80.79 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.701 -0.681 . . . . 74.439999999999998 110.966 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -85.12 -14.75 46.12 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.754 0.821 . . . . 71.400000000000006 109.225 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tt -70.7 112.52 6.99 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.365 -0.976 . . . . 64.230000000000004 108.365 174.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 108.047 -1.094 . . . . 64.439999999999998 108.047 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.242 0.699 0 N-CA-C 108.82 -0.807 . . . . 75.109999999999999 108.82 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.96 153.07 44.52 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.115 0.566 . . . . 73.519999999999996 110.835 176.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 156' ' ' CYS . 43.1 t -71.76 113.94 9.32 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.602 -0.888 . . . . 75.540000000000006 108.602 171.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.42 -45.41 88.52 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.049 0.939 . . . . 73.310000000000002 112.001 -170.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' A' ' 149' ' ' LYS . 9.7 mmpt? -72.43 -41.66 65.92 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.578 -0.737 . . . . 72.439999999999998 111.577 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.479 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 46.9 t80 -71.18 -26.61 63.04 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 122.196 -0.315 . . . . 74.409999999999997 111.127 -177.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.8 p -82.47 -48.86 10.57 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.912 0.485 . . . . 70.209999999999994 111.142 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 78.5 mtm -83.65 -54.05 5.21 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.743 0.417 . . . . 73.439999999999998 111.989 -173.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 68.5 p -97.24 -8.34 30.12 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.704 0.401 . . . . 65.219999999999999 111.633 -175.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 80.8 -0.56 86.21 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 114.0 0.36 . . . . 74.439999999999998 114.0 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -134.74 125.64 27.4 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.613 0.765 . . . . 73.340000000000003 109.016 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 52.6 t -106.57 121.76 44.96 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.176 -0.675 . . . . 71.540000000000006 109.176 176.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.484 ' HB2' ' HZ1' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -72.52 -23.2 60.97 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.858 0.863 . . . . 74.530000000000001 112.261 -175.488 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . 0.536 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 78.8 m-85 -79.25 -32.82 43.88 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.22 0.608 . . . . 72.140000000000001 110.914 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.68 -109.38 2.72 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 116.067 -0.515 . . . . 72.129999999999995 113.341 177.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 67.7 p -72.96 -25.48 61.03 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.513 0.725 . . . . 75.230000000000004 111.014 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.3 mtm-85 -73.35 -21.35 60.56 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.665 -0.698 . . . . 75.230000000000004 110.871 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . 0.536 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 46.1 t -71.58 118.34 14.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.545 0.738 . . . . 74.329999999999998 110.792 -178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 18.6 pm0 -92.18 -21.3 20.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.167 0.987 . . . . 62.119999999999997 110.804 -177.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -78.64 151.18 32.43 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.595 0.758 . . . . 73.530000000000001 111.416 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 30.1 mt -56.24 111.11 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.909 1.284 . . . . 65.25 112.838 -166.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -83.35 91.58 7.36 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.24 0.543 . . . . 74.099999999999994 109.61 167.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.534 ' HZ2' ' HB2' ' A' ' 167' ' ' LYS . 3.6 ttmp? . . . . . 0 C--O 1.242 0.7 0 C-N-CA 123.93 0.892 . . . . 75.219999999999999 109.014 170.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 107.801 -1.185 . . . . 71.010000000000005 107.801 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 67.86 28.28 7.07 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.72 1.208 . . . . 74.010000000000005 110.969 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 65.1 p -77.87 -23.22 48.89 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 114.788 -1.096 . . . . 75.150000000000006 110.461 171.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.47 156.09 45.36 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.087 1.355 . . . . 73.019999999999996 108.762 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 122' ' ' ALA . 98.7 mt -71.56 154.68 41.28 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.088 0.555 . . . . 70.310000000000002 111.159 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . 44.5 t -81.18 116.64 21.17 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.032 0.933 . . . . 73.25 110.493 -175.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.24 -42.29 94.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.171 0.988 . . . . 74.129999999999995 111.244 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.75 77.79 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.052 0.941 . . . . 74.140000000000001 111.869 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.427 ' HB3' ' HB3' ' A' ' 104' ' ' CYS . 78.9 t80 -74.63 -29.88 61.44 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.779 0.832 . . . . 73.010000000000005 111.055 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.524 ' HB2' ' HZ3' ' A' ' 108' ' ' LYS . 10.4 mtmp? -81.08 -31.49 34.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.419 0.288 . . . . 72.099999999999994 111.328 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -91.54 -50.87 5.55 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.059 0.544 . . . . 74.409999999999997 111.895 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.6 t -103.87 -12.62 16.78 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.361 0.664 . . . . 74.530000000000001 111.95 -171.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 72.24 -61.48 0.49 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.296 1.438 . . . . 71.439999999999998 110.629 -172.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.31 114.18 8.19 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.348 0.659 . . . . 62.32 110.231 172.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.1 t -93.12 126.58 38.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.259 1.024 . . . . 61.039999999999999 109.261 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.3 m -64.69 -32.03 73.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.7 0.8 . . . . 72.099999999999994 112.106 -174.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -72.81 -32.1 65.3 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.94 0.496 . . . . 71.120000000000005 111.533 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 61.11 -111.09 3.51 Favored Glycine 0 C--N 1.352 1.422 0 O-C-N 123.581 0.55 . . . . 74.349999999999994 114.167 174.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -70.62 -32.38 69.7 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.447 0.699 . . . . 74.400000000000006 110.674 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -90.46 19.5 5.21 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.074 0.949 . . . . 73.230000000000004 111.569 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.5 t -81.68 123.39 28.68 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.584 0.754 . . . . 62.009999999999998 110.278 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -88.12 16.09 6.59 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.718 0.807 . . . . 65.310000000000002 111.446 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -132.39 149.31 52.37 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.813 0.845 . . . . 61.5 109.44 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.496 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -74.44 131.45 41.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.356 1.062 . . . . 70.140000000000001 113.779 -163.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -98.77 34.71 2.0 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.099 0.96 . . . . 75.239999999999995 110.628 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 151.63 174.7 22.64 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 115.629 -0.714 . . . . 60.32 111.762 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.84 -30.13 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.336 0.654 . . . . 64.230000000000004 110.175 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -65.89 -33.35 75.63 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.383 -0.826 . . . . 62.439999999999998 110.791 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -83.09 -25.01 32.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.727 0.811 . . . . 73.439999999999998 111.07 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.3 tp -82.41 112.76 19.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.578 0.751 . . . . 74.019999999999996 111.405 -172.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 106.834 -1.543 . . . . 72.420000000000002 106.834 167.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 C--O 1.245 0.838 0 N-CA-C 109.143 -0.688 . . . . 73.140000000000001 109.143 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.419 HD22 ' HB ' ' A' ' 165' ' ' ILE . 91.5 mt -70.78 160.04 33.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.221 0.608 . . . . 63.140000000000001 110.505 174.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 150' ' ' PHE . 24.8 t -74.76 112.7 11.24 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.067 -0.716 . . . . 73.430000000000007 109.067 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.5 -33.12 70.86 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.495 0.718 . . . . 75.439999999999998 111.365 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -63.1 -50.13 71.7 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.382 0.673 . . . . 71.299999999999997 109.888 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.513 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 57.3 t80 -67.58 -21.59 65.42 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.618 -1.174 . . . . 71.420000000000002 111.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.4 t -84.68 -44.47 13.39 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.276 0.63 . . . . 73.329999999999998 111.653 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 75.5 mtm -82.76 -46.85 12.63 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.033 0.533 . . . . 70.540000000000006 111.887 -171.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.4 p -95.89 -23.09 17.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.739 0.416 . . . . 55.399999999999999 110.216 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 93.88 -4.95 72.37 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.954 -0.566 . . . . 63.130000000000003 112.503 -176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -133.66 140.19 46.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.678 0.791 . . . . 75.219999999999999 110.995 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 46.2 t -121.52 122.58 40.04 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.174 0.99 . . . . 72.409999999999997 108.898 176.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -73.39 -17.2 61.3 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.714 0.806 . . . . 38.659999999999997 112.346 -173.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -81.77 -40.16 23.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.163 0.585 . . . . 75.329999999999998 111.116 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.94 -113.35 5.68 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 123.384 0.428 . . . . 45.310000000000002 112.587 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 11.5 t -71.9 -16.54 62.13 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.227 0.611 . . . . 62.009999999999998 111.19 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -90.97 7.14 41.75 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.957 0.903 . . . . 74.230000000000004 111.725 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.42 130.3 34.62 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.303 0.641 . . . . 70.540000000000006 110.457 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -83.82 -4.03 58.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.716 0.406 . . . . 73.450000000000003 111.559 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.24 151.25 21.68 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.907 0.883 . . . . 72.310000000000002 110.806 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.419 ' HB ' HD22 ' A' ' 146' ' ' LEU . 33.0 mt -69.13 125.36 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.848 0.859 . . . . 74.209999999999994 111.153 -175.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -97.52 101.07 12.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.205 0.602 . . . . 75.140000000000001 110.567 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 124.013 0.925 . . . . 75.310000000000002 108.592 169.557 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.8 t80 . . . . . 0 C--O 1.239 0.543 0 N-CA-C 106.494 -1.669 . . . . 73.349999999999994 106.494 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 121' ' ' PHE . 20.6 pttp 46.24 37.13 3.75 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.671 1.589 . . . . 72.310000000000002 112.465 -175.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.9 p -88.48 -13.48 40.19 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 113.994 -1.457 . . . . 64.129999999999995 110.601 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -124.72 145.0 49.93 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.624 1.17 . . . . 63.299999999999997 108.4 171.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.484 HD23 ' HB1' ' A' ' 122' ' ' ALA . 78.9 mt -66.11 157.26 31.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.461 0.704 . . . . 72.409999999999997 112.175 -177.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.8 t -84.09 139.51 32.42 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.182 0.993 . . . . 71.420000000000002 111.187 -177.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -67.02 -41.13 87.13 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.168 0.987 . . . . 75.019999999999996 110.78 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.02 -25.77 61.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.963 0.905 . . . . 60.200000000000003 111.577 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -67.65 -32.77 73.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.803 0.841 . . . . 73.140000000000001 111.06 175.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -85.65 -50.91 6.82 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.12 0.568 . . . . 70.239999999999995 110.941 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -74.53 -51.15 15.51 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.506 0.722 . . . . 75.049999999999997 112.244 -173.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.8 m -105.07 -9.08 18.06 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.245 0.618 . . . . 74.340000000000003 111.829 -172.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 72.46 -59.93 0.55 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.399 1.48 . . . . 74.400000000000006 110.732 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.35 141.02 33.18 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.564 0.746 . . . . 73.329999999999998 110.281 170.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.1 t -105.58 125.89 51.51 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.738 0.815 . . . . 74.219999999999999 109.228 176.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.8 m -69.92 -26.95 64.39 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.554 0.742 . . . . 72.540000000000006 111.884 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.451 ' HB2' ' HB2' ' A' ' 119' ' ' CYS . 74.1 m-85 -75.96 -33.93 59.81 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.141 0.576 . . . . 73.439999999999998 110.898 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.02 -107.84 2.07 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 123.502 0.501 . . . . 72.340000000000003 113.099 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -80.05 -16.58 54.78 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.177 0.591 . . . . 70.310000000000002 111.363 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -78.1 -14.9 59.31 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.076 0.55 . . . . 74.400000000000006 110.985 174.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 115' ' ' TYR . 42.3 t -79.04 121.49 25.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.603 0.761 . . . . 75.049999999999997 109.473 176.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -94.85 27.64 3.03 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.549 0.74 . . . . 75.230000000000004 111.237 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.3 m-85 -130.87 145.3 51.96 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.053 0.941 . . . . 72.430000000000007 109.503 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.484 ' HB1' HD23 ' A' ' 103' ' ' LEU . . . -67.06 131.09 45.12 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.029 0.932 . . . . 44.240000000000002 113.351 -167.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -97.67 47.81 1.02 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.452 1.101 . . . . 74.400000000000006 109.278 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 134.88 164.51 10.52 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 114.862 -1.063 . . . . 74.219999999999999 111.962 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.48 -23.83 26.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.01 0.524 . . . . 75.519999999999996 111.136 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -62.5 -25.55 68.08 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.824 0.85 . . . . 72.439999999999998 111.908 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.458 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . 16.4 mm-40 -107.74 -9.58 15.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.4 0.68 . . . . 65.340000000000003 112.234 176.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -75.75 110.86 10.53 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.876 -0.787 . . . . 62.140000000000001 108.876 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.458 ' NH1' ' HA ' ' A' ' 127' ' ' GLU . 10.0 mpt_? . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 124.204 1.002 . . . . 74.400000000000006 109.266 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 108.939 -0.763 . . . . 71.409999999999997 108.939 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 59.1 mt -69.31 155.75 39.9 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.048 0.539 . . . . 74.310000000000002 110.383 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 156' ' ' CYS . 30.8 t -77.31 116.29 17.79 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.301 0.64 . . . . 74.209999999999994 110.481 -175.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.07 -50.1 71.89 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.983 0.913 . . . . 73.540000000000006 110.689 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -60.84 -41.34 95.62 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.69 0.796 . . . . 75.099999999999994 110.831 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -67.27 -30.53 70.43 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.9 -0.591 . . . . 71.409999999999997 110.767 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.9 t -86.9 -28.99 22.47 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.523 0.729 . . . . 61.32 112.235 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.1 mtm -98.11 -53.21 3.44 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.988 0.515 . . . . 63.219999999999999 111.649 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 41.8 p -96.57 -0.9 48.03 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.065 0.546 . . . . 73.319999999999993 111.566 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 99.03 -44.53 1.69 Allowed Glycine 0 C--N 1.349 1.302 0 CA-C-N 116.559 -0.292 . . . . 73.319999999999993 112.65 174.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -128.45 149.86 50.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.577 0.751 . . . . 74.439999999999998 109.538 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 147' ' ' CYS . 53.0 t -78.85 121.19 24.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.931 0.892 . . . . 65.409999999999997 110.096 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.632 ' HZ2' ' HB2' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -71.56 -21.75 61.84 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.137 0.575 . . . . 74.340000000000003 111.728 -177.877 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -71.83 -29.67 64.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.424 0.69 . . . . 72.109999999999999 111.013 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.53 -115.72 7.93 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 123.769 0.668 . . . . 72.319999999999993 113.199 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.9 t -83.57 -7.04 59.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.442 0.697 . . . . 74.239999999999995 111.507 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -98.23 12.26 35.23 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.7 0.8 . . . . 73.340000000000003 111.001 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.55 152.1 46.23 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.61 0.764 . . . . 52.329999999999998 112.52 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.08 2.79 13.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.033 0.933 . . . . 74.239999999999995 111.456 -176.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -129.53 151.45 50.14 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.817 0.847 . . . . 74.540000000000006 110.749 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 30.1 mt -64.29 124.27 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.231 1.012 . . . . 73.319999999999993 111.645 -173.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -86.24 95.83 9.74 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.394 0.678 . . . . 74.319999999999993 109.363 173.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.48 -0.563 . . . . 74.010000000000005 109.48 173.08 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 110.016 -0.364 . . . . 74.530000000000001 110.016 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 60.32 27.91 17.5 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.259 1.423 . . . . 74.040000000000006 112.96 166.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.1 p -72.03 -26.5 62.22 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.194 0.998 . . . . 63.439999999999998 111.195 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.88 162.48 29.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.712 1.205 . . . . 73.319999999999993 108.745 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.44 156.61 38.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.215 0.606 . . . . 71.430000000000007 111.764 -177.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 51.5 t -91.09 119.68 31.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.685 1.194 . . . . 64.099999999999994 110.685 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.13 -43.6 98.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.525 0.73 . . . . 72.540000000000006 110.638 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.37 70.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.845 0.858 . . . . 73.109999999999999 112.052 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -73.05 -35.8 66.79 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.122 0.569 . . . . 75.239999999999995 110.588 176.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -81.17 -27.68 35.31 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 112.009 0.374 . . . . 71.140000000000001 112.009 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -90.91 -51.02 5.56 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.928 0.491 . . . . 75.239999999999995 111.024 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.0 m -113.12 -5.04 13.73 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.049 0.759 . . . . 64.129999999999995 113.049 -169.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 69.6 -71.35 0.12 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.063 1.345 . . . . 54.420000000000002 111.129 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.93 96.18 1.66 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.173 0.589 . . . . 75.230000000000004 110.324 176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 23.3 t -72.96 127.19 31.83 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.2 1.0 . . . . 64.5 110.054 177.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.7 t -64.69 -31.66 72.99 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.924 0.89 . . . . 74.099999999999994 112.109 -173.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -70.91 -35.31 72.23 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.025 0.53 . . . . 71.319999999999993 111.656 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.0 -109.09 2.34 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.286 0.366 . . . . 75.019999999999996 113.19 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.43 -28.63 59.43 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.641 0.777 . . . . 71.439999999999998 110.954 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -76.52 -2.35 31.87 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.486 0.715 . . . . 61.439999999999998 111.889 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 12.5 t -69.96 127.27 32.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.587 0.755 . . . . 55.130000000000003 110.733 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -88.12 11.35 16.47 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.779 0.832 . . . . 72.120000000000005 111.273 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -133.43 152.04 51.87 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.336 1.054 . . . . 74.439999999999998 109.984 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.56 137.4 37.14 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.52 1.128 . . . . 72.310000000000002 112.366 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -97.86 28.68 3.76 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.138 0.975 . . . . 70.049999999999997 109.972 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 167.56 162.08 18.54 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 115.572 -0.74 . . . . 72.230000000000004 111.336 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.41 -24.35 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.467 0.707 . . . . 74.049999999999997 110.945 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -64.19 -34.43 78.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.659 1.184 . . . . 73.420000000000002 111.109 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -93.07 2.85 56.55 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.718 -0.674 . . . . 63.32 112.28 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.1 mt -74.72 111.32 9.8 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.368 -0.604 . . . . 73.310000000000002 109.368 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.236 0.37 0 N-CA-C 108.212 -1.032 . . . . 74.430000000000007 108.212 -175.9 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.835 -0.431 . . . . 72.340000000000003 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.0 mt -77.43 160.0 29.03 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.739 0.815 . . . . 75.239999999999995 111.548 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 54.1 t -82.77 115.6 21.76 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.225 1.01 . . . . 75.5 109.291 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.84 -53.64 55.54 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.825 0.85 . . . . 75.040000000000006 111.234 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.434 ' HE2' ' HE3' ' A' ' 157' ' ' LYS . 32.3 mmmt -59.16 -45.46 90.93 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.366 -0.834 . . . . 73.549999999999997 111.418 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.402 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 34.8 t80 -75.98 -29.23 58.14 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.997 -0.547 . . . . 71.349999999999994 110.859 -172.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 63.9 m -73.28 -32.67 64.79 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.798 0.439 . . . . 74.510000000000005 111.305 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.7 mtm -88.44 -52.76 5.01 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.84 0.456 . . . . 60.32 111.746 -174.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 61.5 p -98.22 -27.12 14.3 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.091 0.556 . . . . 72.200000000000003 111.876 -173.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 92.58 4.76 65.51 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 116.304 -0.407 . . . . 62.219999999999999 112.292 -171.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -136.23 138.83 42.25 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.125 0.97 . . . . 62.310000000000002 110.035 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 47.2 t -121.77 124.25 43.74 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.908 0.883 . . . . 71.540000000000006 109.684 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.434 ' HE3' ' HE2' ' A' ' 149' ' ' LYS . 18.3 ptpt -67.79 -24.65 65.33 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.772 0.829 . . . . 74.510000000000005 112.492 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -78.47 -24.61 45.88 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.174 0.59 . . . . 74.420000000000002 110.886 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.15 -124.63 30.51 Favored Glycine 0 C--N 1.351 1.361 0 O-C-N 123.558 0.536 . . . . 61.409999999999997 113.234 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.4 p -71.99 -20.74 61.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.401 0.68 . . . . 74.230000000000004 111.669 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -82.04 -1.49 48.6 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.477 0.711 . . . . 75.430000000000007 111.95 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.36 123.1 20.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.134 0.574 . . . . 75.0 110.309 175.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -77.08 -32.01 56.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.555 0.742 . . . . 75.239999999999995 111.502 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -83.47 148.02 27.49 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.203 0.601 . . . . 73.409999999999997 111.238 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.63 118.09 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.716 1.206 . . . . 72.150000000000006 111.7 -174.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -76.07 92.27 3.18 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.733 0.778 . . . . 75.109999999999999 109.712 169.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 28.1 tptp . . . . . 0 C--O 1.242 0.66 0 CA-C-N 114.275 -1.329 . . . . 63.399999999999999 108.213 175.409 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.8 t80 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 108.865 -0.791 . . . . 73.340000000000003 108.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.0 pttp 47.83 47.19 18.47 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 126.195 1.798 . . . . 72.5 113.104 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -97.41 -10.7 24.97 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.478 -1.237 . . . . 73.25 111.072 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.17 145.02 51.79 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.785 1.234 . . . . 75.400000000000006 108.857 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.02 149.95 22.02 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.632 0.975 . . . . 74.230000000000004 113.632 -173.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . 36.3 t -84.91 113.68 21.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.586 -1.188 . . . . 75.140000000000001 108.998 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.3 -33.4 72.31 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.915 0.886 . . . . 64.219999999999999 110.838 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.5 76.12 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.428 0.691 . . . . 54.130000000000003 111.579 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 104' ' ' CYS . 77.6 t80 -72.55 -31.41 65.25 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.844 0.857 . . . . 72.450000000000003 111.019 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -77.78 -52.82 8.31 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.125 -0.489 . . . . 64.430000000000007 111.114 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -82.31 -49.99 9.44 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.124 0.569 . . . . 73.209999999999994 111.218 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 m -101.42 -20.72 15.03 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.306 0.643 . . . . 54.130000000000003 111.989 -172.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 61.25 27.54 17.23 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.539 1.135 . . . . 54.119999999999997 111.381 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.71 122.13 7.89 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.056 0.942 . . . . 75.340000000000003 109.176 -177.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 50.8 t -119.75 126.17 50.4 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.695 0.798 . . . . 62.210000000000001 109.213 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 m -74.84 -19.08 60.32 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.659 0.784 . . . . 74.519999999999996 111.98 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -83.1 -18.61 38.95 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.355 0.662 . . . . 71.530000000000001 111.595 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.57 -135.38 33.33 Favored Glycine 0 C--N 1.35 1.355 0 O-C-N 123.431 0.457 . . . . 52.039999999999999 113.143 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -70.4 -21.19 62.88 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.231 0.612 . . . . 75.439999999999998 111.299 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -81.02 5.68 15.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.392 0.677 . . . . 75.439999999999998 111.596 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.41 132.85 52.77 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.994 0.917 . . . . 74.030000000000001 110.879 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -83.96 9.06 13.21 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.391 0.677 . . . . 61.219999999999999 111.507 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -127.74 140.83 51.82 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.021 0.928 . . . . 72.400000000000006 109.693 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.0 133.2 47.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.846 1.258 . . . . 70.310000000000002 112.976 -171.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -95.04 46.0 1.11 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.753 0.821 . . . . 74.25 110.788 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.53 173.33 13.35 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 115.984 -0.553 . . . . 73.340000000000003 112.555 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.78 -25.07 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.267 0.627 . . . . 72.140000000000001 111.007 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -69.78 -26.78 64.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.545 0.738 . . . . 74.319999999999993 110.782 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -91.18 -12.13 36.29 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.377 0.671 . . . . 72.310000000000002 111.962 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.25 110.34 9.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.19 0.519 . . . . 64.109999999999999 110.371 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 107.388 -1.338 . . . . 75.299999999999997 107.388 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 109.369 -0.604 . . . . 73.040000000000006 109.369 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 67.7 mt -76.19 155.53 34.45 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.776 0.43 . . . . 61.329999999999998 110.782 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 25.8 t -81.03 115.94 20.74 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.703 0.801 . . . . 74.519999999999996 110.634 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.35 -40.75 97.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.675 1.19 . . . . 74.219999999999999 110.738 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -61.94 -50.57 71.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.818 0.847 . . . . 61.210000000000001 110.863 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 33.1 t80 -68.65 -27.72 66.25 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.939 0.896 . . . . 72.030000000000001 110.298 -176.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 46.8 t -71.92 -45.52 60.9 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.65 0.78 . . . . 74.430000000000007 111.387 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 56.4 mtm -81.31 -53.59 6.2 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.605 0.362 . . . . 72.450000000000003 111.917 -173.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.8 p -96.47 -0.78 48.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.984 -0.553 . . . . 75.420000000000002 111.887 -168.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 93.1 -44.58 2.49 Favored Glycine 0 C--N 1.349 1.267 0 N-CA-C 112.427 -0.269 . . . . 71.129999999999995 112.427 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -122.39 157.65 31.41 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.855 0.862 . . . . 74.109999999999999 110.119 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 42.9 t -100.98 122.74 44.05 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.986 0.915 . . . . 71.340000000000003 109.075 177.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -66.0 -25.3 67.02 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.252 0.621 . . . . 60.030000000000001 111.889 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -67.71 -34.22 76.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.595 0.758 . . . . 72.209999999999994 110.832 176.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 68.7 -127.68 22.99 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 123.701 0.625 . . . . 51.310000000000002 112.807 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 36.7 p -77.79 -4.8 48.27 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.035 0.534 . . . . 73.349999999999994 111.521 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -88.98 3.75 50.53 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.328 0.651 . . . . 71.030000000000001 110.976 172.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 41.9 t -81.19 143.73 32.13 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.411 0.684 . . . . 74.109999999999999 110.351 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -104.57 16.07 26.81 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.78 0.832 . . . . 70.349999999999994 110.965 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -126.98 150.65 49.3 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.102 0.961 . . . . 72.239999999999995 110.731 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.15 129.98 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.067 0.947 . . . . 73.530000000000001 111.403 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -104.27 94.81 5.55 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.927 0.891 . . . . 63.200000000000003 109.496 174.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.364 -0.976 . . . . 64.209999999999994 108.364 171.71 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 C--O 1.238 0.464 0 CA-C-O 121.396 0.617 . . . . 61.420000000000002 112.339 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 129' ' ' ARG . 29.5 mmtp 65.36 17.92 11.15 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.345 1.858 . . . . 63.009999999999998 112.243 169.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 p -70.86 -34.32 71.51 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.739 0.816 . . . . 43.0 112.194 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -128.53 160.59 31.86 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.069 0.948 . . . . 63.340000000000003 109.293 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.1 152.48 42.32 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.181 0.515 . . . . 72.319999999999993 111.17 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.3 t -86.38 111.27 20.33 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.348 1.059 . . . . 70.129999999999995 109.647 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.86 -45.51 93.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.928 0.891 . . . . 73.120000000000005 110.17 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.83 74.6 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.323 1.015 . . . . 72.430000000000007 111.753 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.38 -62.52 1.55 Allowed 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.598 -0.728 . . . . 74.420000000000002 110.216 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.557 ' HZ2' ' HB2' ' A' ' 108' ' ' LYS . 10.1 mtmp? -64.51 -37.29 87.03 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.58 0.752 . . . . 74.129999999999995 113.011 -168.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -66.8 -33.93 76.69 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.067 0.547 . . . . 63.0 111.737 -175.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.3 p -113.43 -1.3 14.21 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.321 0.649 . . . . 72.200000000000003 111.901 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 67.76 19.2 9.7 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.271 1.428 . . . . 74.420000000000002 112.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.47 140.68 6.11 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.7 1.2 . . . . 65.519999999999996 109.256 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.83 126.75 52.22 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.33 -0.619 . . . . 71.439999999999998 109.33 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 p -65.28 -36.44 84.11 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.775 0.83 . . . . 74.150000000000006 111.616 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -71.62 -39.83 70.19 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.652 0.781 . . . . 74.329999999999998 110.823 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.86 -98.97 0.23 Allowed Glycine 0 C--N 1.348 1.218 0 CA-C-N 115.714 -0.675 . . . . 64.120000000000005 113.029 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -79.32 -22.73 44.14 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.366 0.667 . . . . 62.109999999999999 111.294 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -87.94 10.66 18.05 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.181 0.592 . . . . 74.409999999999997 111.445 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 47.6 t -85.52 134.67 34.02 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.085 0.554 . . . . 75.420000000000002 110.029 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -91.55 -2.77 57.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.65 0.78 . . . . 73.400000000000006 111.91 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -115.15 153.07 31.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.516 0.726 . . . . 75.340000000000003 110.361 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.77 141.18 46.28 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.967 0.907 . . . . 72.420000000000002 112.237 -174.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -101.86 29.53 4.93 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.96 0.904 . . . . 72.409999999999997 111.151 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.81 165.57 23.37 Favored Glycine 0 C--N 1.339 0.709 0 CA-C-N 115.617 -0.72 . . . . 62.140000000000001 111.495 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.98 -37.13 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.291 0.636 . . . . 74.430000000000007 109.827 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -66.96 -28.29 68.16 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 114.862 -1.063 . . . . 73.010000000000005 110.968 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 -13.65 47.08 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.855 1.262 . . . . 73.019999999999996 110.491 -174.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.15 123.9 19.78 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.839 0.856 . . . . 72.25 112.601 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.516 ' HB2' ' HB2' ' A' ' 100' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 106.608 -1.627 . . . . 63.520000000000003 106.608 161.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 108.885 -0.784 . . . . 63.219999999999999 108.885 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.0 mt -72.17 160.6 32.17 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.662 0.785 . . . . 74.420000000000002 111.148 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.43 115.0 11.17 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 123.634 0.774 . . . . 60.329999999999998 110.89 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.481 ' HB2' ' HE3' ' A' ' 152' ' ' MET . 8.1 p-10 -65.47 -32.38 73.96 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.986 0.914 . . . . 74.329999999999998 110.825 -177.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -71.72 -40.17 69.64 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.612 -0.722 . . . . 73.239999999999995 110.985 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -70.72 -30.58 67.16 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 116.271 -0.422 . . . . 74.519999999999996 110.942 -177.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.7 p -85.82 -51.73 6.21 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.403 0.681 . . . . 62.409999999999997 111.621 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.481 ' HE3' ' HB2' ' A' ' 148' ' ' ASP . 70.0 mtm -81.29 -52.65 7.08 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.72 0.408 . . . . 52.439999999999998 111.702 -173.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 82.7 p -96.6 -1.48 46.81 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.582 0.353 . . . . 63.020000000000003 111.525 -174.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 94.53 -43.02 2.37 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 116.258 -0.428 . . . . 52.240000000000002 113.88 169.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -128.11 161.6 28.86 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 117.098 0.449 . . . . 64.040000000000006 110.962 -175.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 49.5 t -121.05 121.95 39.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.411 1.085 . . . . 64.510000000000005 108.731 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -78.82 -28.44 44.43 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.25 0.62 . . . . 74.409999999999997 111.896 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -72.66 -41.78 65.04 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.087 0.555 . . . . 73.310000000000002 111.171 -175.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.79 -103.23 0.8 Allowed Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.732 -0.667 . . . . 64.439999999999998 112.495 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.9 t -73.69 -21.12 60.34 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.708 0.803 . . . . 74.510000000000005 111.273 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -88.23 -0.75 57.47 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.723 0.809 . . . . 73.120000000000005 111.457 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.47 141.81 37.97 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.273 0.629 . . . . 64.010000000000005 109.97 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 20.4 pm0 -97.71 -12.84 21.88 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.336 0.655 . . . . 73.010000000000005 111.517 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.56 150.96 20.54 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.912 0.885 . . . . 74.340000000000003 110.543 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.2 127.37 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.978 0.911 . . . . 64.340000000000003 111.279 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -93.04 94.65 8.99 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.331 -0.618 . . . . 74.530000000000001 109.331 170.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 108.384 -0.969 . . . . 72.209999999999994 108.384 173.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 110.24 -0.282 . . . . 73.200000000000003 110.24 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 127' ' ' GLU . 72.2 mmtt 70.82 -9.29 0.84 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.489 1.515 . . . . 62.520000000000003 114.162 166.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.4 p -72.71 -10.84 60.26 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.872 0.869 . . . . 71.049999999999997 111.806 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.11 149.7 46.18 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.739 1.215 . . . . 71.040000000000006 108.642 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.473 HD21 ' HB1' ' A' ' 122' ' ' ALA . 82.0 mt -75.55 159.15 31.57 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.685 0.794 . . . . 63.210000000000001 111.492 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 38.0 t -81.81 122.7 28.04 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.568 -1.197 . . . . 72.239999999999995 109.841 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.81 -38.79 89.44 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.56 0.744 . . . . 62.109999999999999 111.652 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.69 83.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.896 0.878 . . . . 70.430000000000007 110.848 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -70.44 -40.67 73.64 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.694 0.798 . . . . 73.439999999999998 111.307 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.431 ' HZ2' ' HB3' ' A' ' 108' ' ' LYS . 8.5 mtpm? -71.21 -39.65 71.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.512 0.325 . . . . 60.140000000000001 111.71 -175.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -90.63 -51.12 5.55 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.047 0.539 . . . . 74.540000000000006 111.745 -174.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.0 m -111.65 -16.56 13.21 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.299 0.64 . . . . 74.439999999999998 112.359 -169.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 75.08 -46.88 0.6 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 126.189 1.796 . . . . 75.129999999999995 111.912 -173.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.23 112.86 7.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.445 0.698 . . . . 53.109999999999999 111.17 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 51.8 t -99.33 126.79 45.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.127 0.971 . . . . 64.299999999999997 109.437 176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.1 t -65.96 -38.71 89.27 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.856 0.862 . . . . 70.549999999999997 111.774 -176.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -73.56 -30.87 63.32 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.869 0.468 . . . . 74.230000000000004 111.019 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.63 -119.51 10.15 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 116.05 -0.523 . . . . 74.540000000000006 112.764 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.35 -7.45 58.36 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.017 0.527 . . . . 74.340000000000003 111.747 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -91.41 1.56 57.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.179 0.592 . . . . 74.519999999999996 110.9 173.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.6 t -74.34 122.82 23.51 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.107 0.963 . . . . 72.519999999999996 109.807 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -25.82 60.92 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.569 0.348 . . . . 73.519999999999996 111.58 -178.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.34 158.96 18.27 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.944 0.497 . . . . 70.219999999999999 111.208 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.473 ' HB1' HD21 ' A' ' 103' ' ' LEU . . . -77.7 138.17 38.91 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.287 1.035 . . . . 52.329999999999998 112.943 -168.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -105.46 43.87 1.08 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.732 0.813 . . . . 63.450000000000003 110.177 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.14 169.19 13.9 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 115.412 -0.813 . . . . 64.400000000000006 111.917 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.26 -23.87 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 123.255 0.622 . . . . 70.129999999999995 111.095 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -66.31 -31.43 72.23 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.623 0.769 . . . . 74.439999999999998 110.888 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 100' ' ' LYS . 49.7 mt-10 -92.39 -24.96 18.71 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.742 0.817 . . . . 63.310000000000002 111.075 174.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 43.0 tp -70.38 114.26 8.33 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.208 0.527 . . . . 74.129999999999995 110.898 -174.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 . . . . . 0 C--O 1.24 0.58 0 C-N-CA 124.574 1.149 . . . . 71.25 108.828 179.432 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.008 -0.738 . . . . 74.439999999999998 109.008 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.84 152.39 44.61 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.329 0.651 . . . . 74.329999999999998 111.812 -177.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 15.0 t -84.66 115.43 22.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.84 0.856 . . . . 75.549999999999997 109.294 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.16 -48.43 81.61 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.112 0.965 . . . . 73.140000000000001 110.552 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -70.78 -40.88 72.33 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.108 -0.951 . . . . 73.409999999999997 111.45 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -69.56 -25.98 64.26 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 122.209 0.204 . . . . 74.230000000000004 110.858 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.8 p -86.78 -42.81 13.01 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.193 0.597 . . . . 71.140000000000001 111.693 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 59.8 mtm -85.15 -54.24 4.75 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.023 0.379 . . . . 63.229999999999997 112.023 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 62.7 p -96.26 -18.52 19.97 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.957 0.503 . . . . 62.520000000000003 110.7 -173.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 98.37 -23.7 35.06 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 115.94 -0.573 . . . . 61.520000000000003 113.035 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -124.87 132.24 53.34 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.099 0.559 . . . . 63.109999999999999 110.864 -171.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 35.4 t -110.98 122.84 48.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.488 1.115 . . . . 65.109999999999999 108.816 175.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.77 -30.72 69.38 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.781 0.832 . . . . 74.340000000000003 112.214 -174.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -73.19 -40.26 64.92 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.321 0.648 . . . . 74.239999999999995 110.768 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.04 -101.92 0.47 Allowed Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.584 -0.735 . . . . 41.439999999999998 112.706 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.7 p -81.29 -7.19 59.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.733 0.813 . . . . 72.319999999999993 111.918 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -96.3 -4.56 41.93 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.51 0.724 . . . . 72.310000000000002 111.132 173.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 53.1 t -79.49 117.22 20.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.196 0.598 . . . . 52.549999999999997 110.127 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.42 -18.12 60.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.321 0.648 . . . . 75.109999999999999 111.453 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -81.13 149.15 29.28 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.967 0.907 . . . . 73.230000000000004 111.854 -177.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.86 112.71 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.49 1.116 . . . . 72.409999999999997 110.725 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -73.37 93.02 1.88 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.672 0.748 . . . . 64.349999999999994 109.562 170.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 57.9 tptt . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 114.086 -1.415 . . . . 75.409999999999997 110.299 -176.588 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 CA--C 1.544 0.717 0 N-CA-C 109.159 -0.682 . . . . 75.019999999999996 109.159 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 128' ' ' LEU . 54.0 mtmt 69.55 9.0 7.05 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.538 1.535 . . . . 64.209999999999994 113.548 174.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -73.63 -16.33 61.23 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.947 0.499 . . . . 74.540000000000006 111.115 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.04 158.02 45.42 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.421 1.089 . . . . 71.420000000000002 108.958 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.3 mt -76.79 151.78 35.83 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.973 0.509 . . . . 74.349999999999994 111.072 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 25.2 t -77.45 122.11 24.75 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.245 1.018 . . . . 54.009999999999998 108.921 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.556 ' HA ' ' HZ1' ' A' ' 108' ' ' LYS . 28.2 t70 -65.4 -42.8 92.22 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.839 0.456 . . . . 54.229999999999997 110.816 -176.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.27 65.44 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.329 1.052 . . . . 42.439999999999998 112.039 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -68.25 -40.86 81.83 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.58 0.752 . . . . 73.519999999999996 110.557 176.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.556 ' HZ1' ' HA ' ' A' ' 105' ' ' ASP . 22.9 mtmm -73.4 -24.29 60.27 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 116.385 -0.37 . . . . 74.219999999999999 111.483 -176.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 30.9 mmt180 -89.86 -46.66 8.4 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.063 0.545 . . . . 61.439999999999998 111.01 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 t -107.19 -7.62 16.74 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.901 0.704 . . . . 75.219999999999999 112.901 -168.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 67.85 -71.76 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.631 1.172 . . . . 73.329999999999998 109.934 -171.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.01 101.62 5.32 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.235 0.614 . . . . 74.299999999999997 109.349 172.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 41.2 t -80.75 125.74 30.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.519 0.728 . . . . 73.439999999999998 109.546 177.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.7 t -64.68 -32.05 73.54 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.232 1.013 . . . . 64.400000000000006 112.193 -172.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.642 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 72.4 m-85 -63.32 -44.17 95.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.931 0.492 . . . . 75.439999999999998 111.262 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.32 -112.07 4.69 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 111.546 -0.622 . . . . 73.25 111.546 -172.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -80.44 -8.13 59.42 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.189 0.596 . . . . 75.510000000000005 111.712 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -76.56 -11.88 59.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.286 0.634 . . . . 75.25 111.442 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.642 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 63.9 m -72.62 131.35 42.32 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 123.004 0.521 . . . . 70.120000000000005 110.217 169.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -77.71 -31.51 52.35 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.235 -0.654 . . . . 75.420000000000002 109.235 168.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -79.74 159.63 26.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.998 0.919 . . . . 72.400000000000006 111.531 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.441 ' HB3' ' HB2' ' A' ' 127' ' ' GLU . . . -76.17 142.16 41.65 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.57 1.148 . . . . 62.25 112.049 -173.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -104.99 29.25 6.48 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.129 0.972 . . . . 75.409999999999997 109.796 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.43 148.95 9.78 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 115.568 -0.742 . . . . 64.420000000000002 111.566 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 67.3 t -66.42 -33.98 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.645 0.778 . . . . 64.030000000000001 110.547 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -65.65 -23.63 66.85 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.93 -0.577 . . . . 71.010000000000005 111.54 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 35.3 mt-10 -87.96 -10.39 50.65 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.685 0.794 . . . . 74.450000000000003 111.801 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 100' ' ' LYS . 62.2 mt -64.47 114.2 4.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.079 0.552 . . . . 43.409999999999997 111.238 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 124.223 1.009 . . . . 73.519999999999996 110.084 -178.253 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 109.039 -0.726 . . . . 70.340000000000003 109.039 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.35 155.08 38.35 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.179 0.592 . . . . 55.039999999999999 110.889 176.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 13.9 t -86.0 113.94 22.49 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.569 -0.9 . . . . 72.420000000000002 108.569 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.89 -46.6 74.41 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.485 0.714 . . . . 72.420000000000002 111.292 -173.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -62.26 -44.77 95.79 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.601 0.76 . . . . 63.140000000000001 111.022 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -70.66 -23.05 62.44 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.293 -0.412 . . . . 75.430000000000007 110.711 -175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 56.8 m -80.13 -50.21 10.62 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.692 0.397 . . . . 61.520000000000003 111.107 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.2 mtm -76.46 -51.27 12.1 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.262 0.625 . . . . 74.219999999999999 112.127 -170.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 59.8 p -97.03 -21.18 17.55 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.94 0.496 . . . . 73.409999999999997 110.855 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 89.09 1.79 78.74 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 116.174 -0.466 . . . . 72.299999999999997 112.596 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -133.43 129.59 37.51 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.927 0.891 . . . . 71.019999999999996 109.615 -173.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 50.8 t -104.41 122.7 46.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.632 0.773 . . . . 74.25 110.132 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.505 ' HZ2' ' HB2' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -71.33 -23.82 62.0 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.362 1.065 . . . . 72.329999999999998 112.656 -178.301 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -80.26 -40.75 26.34 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.103 0.561 . . . . 75.409999999999997 110.335 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.43 -102.86 0.79 Allowed Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.793 -0.64 . . . . 45.32 113.595 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.4 p -79.1 -22.79 44.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.883 0.873 . . . . 73.010000000000005 111.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -78.19 -12.38 59.99 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.546 0.738 . . . . 70.540000000000006 110.747 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 164' ' ' PHE . 35.1 t -73.34 118.55 16.42 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.583 0.753 . . . . 73.239999999999995 110.748 -176.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -86.33 3.03 45.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.646 0.778 . . . . 62.25 110.843 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' PHE . . . . . 0.456 ' HB2' ' SG ' ' A' ' 162' ' ' CYS . 81.3 m-85 -101.86 151.03 22.56 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.138 0.975 . . . . 63.340000000000003 111.519 -171.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.15 112.79 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 124.847 1.259 . . . . 62.43 111.244 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -87.36 95.65 10.08 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.328 0.651 . . . . 75.310000000000002 110.167 174.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt . . . . . 0 N--CA 1.476 0.847 0 C-N-CA 123.26 0.624 . . . . 74.450000000000003 109.756 172.412 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.411 ' HB2' HG22 ' A' ' 101' ' ' THR . 62.7 p . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.508 0.194 . . . . 72.140000000000001 110.921 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -69.15 153.31 43.92 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.024 0.93 . . . . 62.399999999999999 110.306 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.31 -16.58 62.46 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.888 0.699 . . . . 65.409999999999997 112.888 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.43 ' HA ' ' O ' ' A' ' 120' ' ' ARG . 67.3 m-85 -90.47 125.77 35.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.089 0.556 . . . . 72.109999999999999 111.746 -177.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 127' ' ' GLU . 67.7 mmtt 68.98 10.94 8.19 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.065 1.746 . . . . 70.129999999999995 114.067 161.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.411 HG22 ' HB2' ' A' ' 96' ' ' SER . 38.1 p -87.09 -6.88 58.53 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.463 0.705 . . . . 62.119999999999997 111.66 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.72 155.71 41.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.279 1.032 . . . . 71.430000000000007 109.391 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.21 158.0 33.66 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.687 0.795 . . . . 73.25 111.384 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 46.6 t -87.19 112.88 22.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.952 0.901 . . . . 74.129999999999995 110.886 -176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.42 -43.04 93.14 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.065 0.946 . . . . 74.400000000000006 111.333 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.4 87.3 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.821 0.849 . . . . 63.520000000000003 111.467 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 89.9 t80 -73.33 -36.59 66.23 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.006 0.522 . . . . 75.109999999999999 111.015 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -74.36 -45.05 49.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.714 0.406 . . . . 72.140000000000001 111.457 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -90.56 -50.48 5.91 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.301 0.64 . . . . 72.329999999999998 112.017 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.3 t -100.17 -16.22 17.87 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.196 0.599 . . . . 74.329999999999998 111.861 -173.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 77.9 mt-30 75.14 -50.88 0.66 Allowed 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 125.75 1.62 . . . . 71.239999999999995 111.71 -174.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.41 133.55 48.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.527 0.731 . . . . 71.049999999999997 110.655 173.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.5 t -118.95 128.86 54.8 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.193 -1.04 . . . . 74.439999999999998 108.193 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 m -60.71 -33.86 73.52 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.082 0.953 . . . . 72.109999999999999 112.891 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -92.78 -18.71 22.57 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.341 0.656 . . . . 70.230000000000004 111.683 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.77 -122.85 12.37 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-O 119.879 -0.4 . . . . 52.329999999999998 112.633 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.36 -11.94 59.98 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.501 0.721 . . . . 72.340000000000003 111.771 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -90.84 11.01 23.9 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.445 0.698 . . . . 71.230000000000004 111.292 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 38.6 t -68.45 125.75 27.45 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.036 0.934 . . . . 73.409999999999997 110.724 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 99' ' ' PHE . 38.8 ptt180 -68.68 -9.69 51.77 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.455 0.702 . . . . 72.109999999999999 111.653 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -104.21 159.94 15.28 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.361 0.664 . . . . 73.109999999999999 110.948 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.55 131.89 35.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.483 1.113 . . . . 64.310000000000002 111.677 -174.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -100.49 31.22 3.54 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.845 0.858 . . . . 74.329999999999998 110.705 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 166.77 168.8 29.5 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 111.699 -0.561 . . . . 64.239999999999995 111.699 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.12 -30.58 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.524 0.73 . . . . 71.219999999999999 110.831 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -71.23 -34.92 71.23 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.36 0.664 . . . . 74.329999999999998 110.251 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.465 ' O ' ' HB3' ' A' ' 100' ' ' LYS . 17.7 mm-40 -75.42 -24.89 57.17 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.263 -0.88 . . . . 74.010000000000005 110.753 174.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.7 tp -80.29 113.14 18.25 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.421 0.688 . . . . 71.109999999999999 110.789 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.35 79.05 1.64 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 107.45 -1.315 . . . . 74.420000000000002 107.45 168.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.04 160.38 81.83 Favored Pre-proline 0 CA--C 1.554 1.103 0 CA-C-N 115.685 -0.689 . . . . 75.150000000000006 111.314 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.57 106.82 0.23 Allowed 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.416 2.077 . . . . 64.099999999999994 111.033 171.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 21.8 mmt -71.23 96.3 1.38 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.777 0.831 . . . . 61.32 110.761 -171.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -78.61 140.79 59.72 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.338 0.655 . . . . 74.209999999999994 109.585 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.81 131.8 35.08 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 123.085 2.523 . . . . 62.340000000000003 113.562 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -87.22 -2.33 58.55 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.026 0.93 . . . . 73.319999999999993 111.346 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.69 79.7 0.34 Allowed Glycine 0 C--N 1.352 1.47 0 O-C-N 123.685 0.616 . . . . 75.219999999999999 112.804 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -132.91 -31.26 1.31 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.801 0.84 . . . . 75.209999999999994 109.962 -176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -66.2 149.97 49.51 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.009 0.924 . . . . 72.120000000000005 110.943 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -73.59 111.91 13.98 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 124.254 1.022 . . . . 74.129999999999995 110.809 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -95.56 99.52 0.1 Allowed 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.403 2.735 . . . . 72.040000000000006 111.753 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.557 ' HD3' ' HA ' ' A' ' 144' ' ' THR . 15.4 ptpt -92.56 113.59 25.91 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.484 0.659 . . . . 74.109999999999999 112.31 -175.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -74.42 -46.79 37.76 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 107.898 -1.149 . . . . 74.430000000000007 107.898 163.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -84.24 110.76 18.8 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.937 -1.134 . . . . 73.530000000000001 107.937 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.557 ' HA ' ' HD3' ' A' ' 141' ' ' LYS . 67.3 p -104.07 -60.5 1.57 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.234 0.457 . . . . 64.310000000000002 112.234 -168.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.6 t -97.06 155.19 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 124.176 0.99 . . . . 44.310000000000002 108.61 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.45 HD21 ' HB ' ' A' ' 165' ' ' ILE . 83.5 mt -65.1 151.08 46.94 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.622 0.646 . . . . 73.25 111.867 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 9.8 t -87.98 113.1 23.29 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.636 0.774 . . . . 74.400000000000006 109.131 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -74.98 -37.75 61.83 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.197 0.599 . . . . 74.540000000000006 111.082 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -64.21 -42.0 96.8 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.488 0.715 . . . . 74.209999999999994 110.729 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -69.15 -24.22 64.06 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.507 -0.769 . . . . 71.519999999999996 110.705 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.8 t -85.17 -31.98 22.94 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.317 0.647 . . . . 75.099999999999994 111.614 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.2 mtm -90.24 -54.11 4.16 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.797 0.439 . . . . 74.239999999999995 111.598 -175.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 68.3 p -98.18 -10.08 24.69 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.203 0.601 . . . . 75.450000000000003 111.513 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 79.64 3.3 88.93 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 116.206 -0.452 . . . . 70.099999999999994 113.003 -176.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -137.68 134.95 36.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.329 0.651 . . . . 73.439999999999998 110.727 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 32.0 t -121.41 122.1 39.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.739 1.215 . . . . 65.430000000000007 108.107 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -70.14 -25.75 63.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.294 0.638 . . . . 73.530000000000001 112.593 -169.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -74.22 -35.97 63.92 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.212 0.605 . . . . 74.439999999999998 111.117 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.39 -109.07 2.71 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-N 115.833 -0.621 . . . . 71.530000000000001 112.434 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.9 p -74.14 -25.11 59.56 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.251 0.62 . . . . 72.409999999999997 111.137 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -72.94 -16.78 61.53 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.926 0.89 . . . . 72.329999999999998 111.624 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.11 125.91 25.43 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.651 0.781 . . . . 75.019999999999996 111.441 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -82.07 3.67 25.95 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.809 0.844 . . . . 74.310000000000002 111.183 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -117.95 147.17 43.42 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.154 0.982 . . . . 73.5 110.98 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.45 ' HB ' HD21 ' A' ' 146' ' ' LEU . 59.5 mt -71.76 117.35 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.795 1.238 . . . . 62.310000000000002 110.989 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -78.62 94.28 5.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.04 0.536 . . . . 70.109999999999999 109.679 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -108.17 124.86 50.9 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.197 -0.911 . . . . 74.439999999999998 109.067 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 68.3 mt -76.71 98.54 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 N-CA-C 108.763 -0.829 . . . . 75.219999999999999 108.763 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.45 125.02 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.845 0.858 . . . . 73.040000000000006 110.018 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -75.35 154.98 36.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.463 0.705 . . . . 74.129999999999995 110.982 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 117.67 134.44 5.16 Favored Glycine 0 C--N 1.342 0.862 0 N-CA-C 111.135 -0.786 . . . . 65.420000000000002 111.135 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -114.56 136.77 52.67 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.416 0.686 . . . . 74.519999999999996 110.548 -175.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 C-N-CA 123.791 0.836 . . . . 62.520000000000003 109.268 173.425 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.119 -0.326 . . . . 74.140000000000001 110.119 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -76.85 152.92 35.26 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.239 0.616 . . . . 74.319999999999993 110.324 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.51 19.09 8.89 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.242 1.017 . . . . 73.239999999999995 111.891 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -132.17 89.03 2.61 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.44 -0.948 . . . . 73.0 108.44 -173.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt 66.23 16.04 10.3 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.85 1.26 . . . . 75.430000000000007 111.525 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.4 p -80.68 -20.11 43.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.46 1.104 . . . . 74.200000000000003 110.271 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.51 165.41 24.94 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.62 1.168 . . . . 64.510000000000005 108.846 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.76 157.98 28.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.424 0.631 . . . . 74.150000000000006 111.356 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.0 116.32 20.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 124.529 1.132 . . . . 73.25 109.175 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.493 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 27.6 t70 -68.39 -35.16 77.27 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.07 0.948 . . . . 71.230000000000004 111.125 -174.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.05 -24.45 64.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.548 0.739 . . . . 51.130000000000003 111.438 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -86.04 -34.24 20.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.054 0.542 . . . . 75.049999999999997 110.979 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -84.86 -34.01 22.71 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 111.605 0.224 . . . . 73.409999999999997 111.605 -177.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -91.09 -50.8 5.65 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.685 0.394 . . . . 73.200000000000003 111.183 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.7 m -104.3 -3.59 24.02 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.125 0.57 . . . . 71.120000000000005 112.396 -170.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 69.38 -66.4 0.26 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 125.55 1.54 . . . . 51.549999999999997 112.245 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.59 113.34 6.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 122.865 0.466 . . . . 73.030000000000001 110.147 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 119' ' ' CYS . 51.0 t -70.22 140.12 52.4 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.398 0.679 . . . . 52.140000000000001 110.749 179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.5 m -65.22 -50.2 66.75 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.915 0.886 . . . . 73.450000000000003 111.763 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -83.79 -18.78 36.55 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.176 0.591 . . . . 72.450000000000003 111.155 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.08 -119.32 6.71 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.418 0.449 . . . . 71.120000000000005 112.204 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -76.81 -17.87 58.75 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.297 0.639 . . . . 74.329999999999998 111.184 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -83.15 6.7 18.35 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.583 0.753 . . . . 62.409999999999997 111.572 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 113' ' ' CYS . 44.8 t -67.72 133.39 49.2 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.731 0.813 . . . . 55.130000000000003 110.899 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -92.8 10.64 30.06 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.581 0.753 . . . . 72.409999999999997 111.632 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -132.36 146.02 51.67 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.402 0.681 . . . . 62.219999999999999 110.274 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.7 138.18 57.8 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.626 1.171 . . . . 60.530000000000001 113.338 -168.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -97.67 27.94 4.1 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.57 0.748 . . . . 74.25 110.468 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.54 -178.44 24.21 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 115.759 -0.655 . . . . 70.109999999999999 111.533 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.456 ' HA ' ' HB3' ' A' ' 128' ' ' LEU . 12.8 p -69.39 -22.36 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.449 0.7 . . . . 73.319999999999993 111.963 -175.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -62.94 -37.75 88.31 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.516 0.726 . . . . 63.539999999999999 111.498 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -94.9 -22.09 18.22 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.378 0.671 . . . . 74.109999999999999 111.191 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 125' ' ' VAL . 48.9 tp -72.31 110.06 6.48 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.044 0.449 . . . . 74.439999999999998 111.381 -171.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.79 88.23 2.89 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 106.6 -1.63 . . . . 62.509999999999998 106.6 165.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.17 155.71 54.34 Favored Pre-proline 0 CA--C 1.554 1.132 0 C-N-CA 124.201 1.001 . . . . 70.340000000000003 111.656 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.91 113.79 1.33 Allowed 'Trans proline' 0 C--N 1.385 2.497 0 C-N-CA 123.071 2.514 . . . . 53.210000000000001 112.621 178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 47.0 mtm -113.97 132.83 55.83 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.292 1.037 . . . . 65.439999999999998 109.786 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -71.29 149.09 94.03 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.864 0.866 . . . . 64.129999999999995 110.396 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.92 128.39 25.32 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.829 2.353 . . . . 73.430000000000007 111.898 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -74.05 99.3 3.29 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.566 0.746 . . . . 75.010000000000005 110.448 -176.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.87 111.84 0.9 Allowed Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.726 -0.67 . . . . 50.32 111.864 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -86.74 152.54 22.43 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.126 0.488 . . . . 73.450000000000003 110.635 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -118.3 95.14 4.75 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.728 -1.212 . . . . 72.329999999999998 107.728 171.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -147.41 85.32 6.81 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 123.48 0.712 . . . . 73.129999999999995 109.735 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -85.74 -4.45 9.04 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.928 2.418 . . . . 73.150000000000006 112.63 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' A' ' 144' ' ' THR . 87.6 tttt -75.46 101.14 4.72 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.097 0.959 . . . . 62.130000000000003 110.087 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.551 ' HD1' ' HZ2' ' A' ' 143' ' ' LYS . 76.3 t80 -79.4 -48.78 13.41 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.921 0.488 . . . . 75.120000000000005 110.251 178.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.551 ' HZ2' ' HD1' ' A' ' 142' ' ' TYR . 45.6 mmtm -77.27 97.81 4.96 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.022 -1.103 . . . . 73.519999999999996 108.022 174.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.454 ' HA ' ' HE2' ' A' ' 141' ' ' LYS . 40.8 p -96.86 -65.04 0.99 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.138 0.575 . . . . 64.310000000000002 112.414 -169.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.92 152.34 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.808 0.843 . . . . 65.340000000000003 109.511 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.07 135.82 51.39 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.879 0.472 . . . . 63.030000000000001 109.941 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 41.8 t -75.22 113.65 12.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.484 0.714 . . . . 54.539999999999999 109.973 -174.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.23 -37.12 85.98 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.84 0.856 . . . . 73.200000000000003 110.851 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -65.11 -44.21 89.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.378 -0.828 . . . . 73.549999999999997 110.725 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -76.16 -23.25 54.76 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 115.684 -0.689 . . . . 75.230000000000004 110.666 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.493 ' HA ' ' HB ' ' A' ' 169' ' ' VAL . 49.7 m -84.37 -39.66 18.81 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.105 0.562 . . . . 71.5 112.156 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 67.2 mtm -90.86 -53.4 4.41 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.967 0.507 . . . . 75.450000000000003 111.717 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 37.7 p -97.62 -18.82 18.68 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.556 0.342 . . . . 70.010000000000005 110.706 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 82.22 5.74 89.38 Favored Glycine 0 C--N 1.351 1.361 0 CA-C-N 116.1 -0.5 . . . . 37.869999999999997 113.357 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -137.62 133.59 34.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.861 0.865 . . . . 73.400000000000006 109.509 -174.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 36.6 t -119.12 127.41 53.33 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.266 1.026 . . . . 74.230000000000004 108.256 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -61.3 -32.8 72.65 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.653 0.781 . . . . 70.219999999999999 112.727 -171.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . 0.52 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 66.1 m-85 -83.29 -28.52 29.05 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.21 0.604 . . . . 64.439999999999998 110.823 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.44 -110.47 3.51 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.706 0.629 . . . . 60.350000000000001 112.361 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 76.8 p -71.31 -20.98 62.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.671 0.788 . . . . 73.129999999999995 111.328 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 84.6 mtt180 -82.48 -5.52 58.75 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.86 0.864 . . . . 65.299999999999997 111.851 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 53.5 t -66.97 130.29 42.65 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.553 0.741 . . . . 74.439999999999998 110.31 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -86.71 5.0 38.37 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.74 0.816 . . . . 73.400000000000006 111.336 -178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -111.86 149.74 31.39 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.011 0.924 . . . . 74.420000000000002 110.695 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.15 121.34 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.722 1.209 . . . . 74.340000000000003 111.531 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -94.31 94.92 8.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.008 0.523 . . . . 74.140000000000001 109.742 171.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -96.55 140.14 31.61 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 108.262 -1.014 . . . . 74.439999999999998 108.262 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 48.9 mm -68.25 94.71 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.509 -0.552 . . . . 73.519999999999996 109.509 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 151' ' ' SER . 59.2 t -118.67 109.35 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.066 0.946 . . . . 63.039999999999999 109.567 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -82.1 -32.55 30.16 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.8 0.84 . . . . 64.099999999999994 109.479 174.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -177.54 -167.39 35.69 Favored Glycine 0 C--N 1.344 0.997 0 CA-C-N 115.133 -0.939 . . . . 64.430000000000007 111.836 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -103.98 148.01 26.7 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.36 0.664 . . . . 72.030000000000001 109.972 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 C-N-CA 123.596 0.759 . . . . 72.230000000000004 109.146 -178.824 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.024 -0.361 . . . . 52.32 110.024 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -85.18 150.53 24.75 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.409 0.684 . . . . 71.209999999999994 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.23 87.54 3.08 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.415 0.686 . . . . 73.129999999999995 110.556 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -127.51 108.62 10.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 107.375 -1.343 . . . . 65.129999999999995 107.375 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.565 ' HZ1' ' HB2' ' A' ' 100' ' ' LYS . 9.7 mtmp? 61.4 24.21 14.35 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.461 1.105 . . . . 73.219999999999999 111.7 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.6 p -77.4 -19.82 55.59 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.074 0.949 . . . . 74.099999999999994 110.473 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.17 167.1 22.83 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.838 1.255 . . . . 62.219999999999999 108.667 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.65 147.55 33.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.014 0.526 . . . . 74.150000000000006 110.587 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 29.0 t -63.08 128.35 35.45 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.476 1.11 . . . . 52.399999999999999 109.943 174.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 109' ' ' ARG . 34.1 t70 -58.37 -47.97 82.11 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.657 0.783 . . . . 73.519999999999996 111.525 -174.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.14 -23.9 64.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.346 0.658 . . . . 75.439999999999998 111.722 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -76.49 -42.8 42.2 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.083 0.553 . . . . 74.129999999999995 110.71 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -77.65 -27.46 51.01 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 111.6 0.222 . . . . 71.340000000000003 111.6 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 16.2 ptm180 -93.19 -47.78 6.78 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.994 0.368 . . . . 74.549999999999997 111.994 178.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 t -113.69 -17.73 12.05 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.205 0.602 . . . . 65.129999999999995 112.264 -167.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 59.41 28.69 18.12 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.236 1.014 . . . . 70.349999999999994 110.93 -171.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -141.45 101.81 4.07 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.029 0.932 . . . . 65.129999999999995 109.457 -176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.8 t -113.23 126.95 55.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.406 1.083 . . . . 74.030000000000001 109.737 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.5 t -69.08 -34.01 74.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.025 0.93 . . . . 64.129999999999995 111.836 -175.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -74.4 -38.2 63.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.899 0.48 . . . . 64.120000000000005 110.944 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 63.68 -103.02 0.62 Allowed Glycine 0 C--N 1.347 1.155 0 O-C-N 123.715 0.635 . . . . 74.409999999999997 112.986 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.21 -29.75 65.53 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.559 0.744 . . . . 72.310000000000002 110.939 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -87.99 11.75 15.12 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.984 0.914 . . . . 74.400000000000006 111.954 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 36.7 t -77.59 127.56 32.69 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.716 0.807 . . . . 73.329999999999998 110.153 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -70.02 -26.1 63.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.075 0.55 . . . . 71.209999999999994 111.714 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -105.0 160.24 15.19 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.312 0.645 . . . . 74.0 111.457 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.91 139.63 48.86 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.413 -1.267 . . . . 71.219999999999999 113.381 -166.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -105.82 30.85 5.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.331 1.052 . . . . 74.049999999999997 109.979 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.0 163.14 26.28 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 116.097 -0.501 . . . . 65.400000000000006 112.659 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.14 -26.95 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 C-N-CA 123.912 0.885 . . . . 73.109999999999999 111.309 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -74.45 -26.84 60.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.941 0.896 . . . . 73.150000000000006 110.97 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.486 ' HB3' ' HD2' ' A' ' 100' ' ' LYS . 54.7 mt-10 -83.75 -19.69 34.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.71 0.804 . . . . 73.319999999999993 111.857 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.8 mt -66.47 115.7 6.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.312 0.645 . . . . 75.0 112.117 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -112.98 98.66 7.31 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 106.524 -1.658 . . . . 70.439999999999998 106.524 163.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 pp -56.79 153.09 23.76 Favored Pre-proline 0 CA--C 1.555 1.149 0 O-C-N 124.013 0.82 . . . . 75.340000000000003 111.318 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -58.43 92.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.683 2.255 . . . . 75.230000000000004 112.356 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 33.1 mtm -78.41 96.44 5.36 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.187 0.995 . . . . 75.430000000000007 109.908 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -155.78 156.04 30.16 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 115.153 -0.93 . . . . 73.209999999999994 109.377 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.37 144.2 99.5 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.36 2.04 . . . . 70.140000000000001 111.666 171.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -67.27 -29.74 69.43 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.989 0.515 . . . . 72.310000000000002 110.767 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -89.53 61.95 3.48 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.586 -0.734 . . . . 74.450000000000003 112.348 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -64.54 -62.95 1.27 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.263 0.625 . . . . 64.530000000000001 109.412 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -88.68 84.11 6.72 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 107.854 -1.165 . . . . 65.420000000000002 107.854 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -73.38 113.96 27.12 Favored Pre-proline 0 CA--C 1.553 1.093 0 CA-C-N 115.183 -0.917 . . . . 65.319999999999993 109.832 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -80.89 -14.51 11.08 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.787 2.325 . . . . 44.109999999999999 113.244 -176.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' A' ' 144' ' ' THR . 86.9 tttt -85.54 85.02 7.45 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.639 0.776 . . . . 73.530000000000001 109.938 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -73.96 -42.39 60.59 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.209 -0.905 . . . . 72.430000000000007 109.246 173.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -77.39 97.47 4.94 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.783 -1.098 . . . . 62.229999999999997 108.65 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.5 ' HA ' ' HE2' ' A' ' 141' ' ' LYS . 73.4 p -102.91 -43.51 5.51 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.901 0.481 . . . . 74.340000000000003 110.587 -178.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 64.8 t -82.83 146.72 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.397 0.679 . . . . 70.519999999999996 109.967 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 61.6 mt -72.23 159.95 33.23 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.769 0.828 . . . . 51.020000000000003 111.21 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 38.5 t -89.32 114.57 25.98 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.484 0.714 . . . . 65.519999999999996 109.922 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.35 -44.24 46.16 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.343 0.657 . . . . 74.150000000000006 110.469 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -55.47 -40.27 71.44 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.966 0.907 . . . . 71.010000000000005 112.075 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -69.78 -44.59 69.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.303 0.641 . . . . 71.219999999999999 110.432 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.4 m -69.19 -36.35 77.22 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.898 -0.592 . . . . 65.299999999999997 112.089 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 61.8 mtm -71.45 -48.85 46.81 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.158 0.429 . . . . 70.010000000000005 112.158 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 67.3 p -97.14 -43.51 7.35 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.747 0.419 . . . . 75.150000000000006 111.167 -170.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.543 ' HA2' HG22 ' A' ' 169' ' ' VAL . . . 134.56 -35.6 2.19 Favored Glycine 0 C--N 1.341 0.855 0 N-CA-C 111.233 -0.747 . . . . 73.150000000000006 111.233 -174.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -136.09 142.5 44.32 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.08 0.952 . . . . 44.329999999999998 109.477 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 45.1 t -85.58 123.28 30.81 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.601 0.761 . . . . 73.0 109.795 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -64.11 -24.62 67.76 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.681 0.792 . . . . 75.140000000000001 112.212 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -73.97 -38.23 64.24 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.438 0.695 . . . . 75.200000000000003 110.282 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.11 -117.1 9.21 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-N 115.747 -0.661 . . . . 61.420000000000002 112.785 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 58.0 p -76.92 -11.14 59.77 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.153 0.581 . . . . 71.349999999999994 111.464 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -93.37 7.44 44.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.714 0.805 . . . . 75.310000000000002 111.289 174.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 52.3 t -83.5 125.63 31.95 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.335 0.654 . . . . 71.010000000000005 109.857 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -91.38 16.33 10.37 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.605 0.762 . . . . 65.510000000000005 111.185 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -124.53 148.61 47.66 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.708 0.803 . . . . 64.409999999999997 110.64 -175.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.74 120.63 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.506 1.122 . . . . 73.439999999999998 111.503 -175.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -83.59 95.07 8.22 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.725 -0.472 . . . . 75.239999999999995 109.725 173.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -86.29 134.19 33.76 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.069 -0.715 . . . . 63.130000000000003 109.069 171.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 51.4 mm -65.44 128.82 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 123.675 0.609 . . . . 71.120000000000005 109.407 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.543 HG22 ' HA2' ' A' ' 154' ' ' GLY . 61.3 t -58.16 109.47 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 124.257 0.973 . . . . 64.510000000000005 111.207 -170.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -115.1 -54.26 2.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.242 1.417 . . . . 73.239999999999995 109.374 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.09 -41.93 0.88 Allowed Glycine 0 C--N 1.341 0.86 0 CA-C-N 114.938 -1.028 . . . . 74.430000000000007 110.66 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -79.35 110.74 14.92 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.289 -0.634 . . . . 74.230000000000004 109.289 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 C-N-CA 123.833 0.853 . . . . 64.349999999999994 108.804 179.597 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.785 -0.45 . . . . 74.120000000000005 109.785 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.82 150.85 27.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.136 0.574 . . . . 74.049999999999997 110.231 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.48 -20.41 62.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.72 0.808 . . . . 60.520000000000003 110.888 172.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.451 ' HB3' ' HG3' ' A' ' 100' ' ' LYS . 3.1 m-85 -67.29 147.38 53.06 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.902 0.881 . . . . 72.310000000000002 110.528 169.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.451 ' HG3' ' HB3' ' A' ' 99' ' ' PHE . 94.5 mttt 68.57 35.59 3.14 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 113.949 -1.478 . . . . 65.299999999999997 112.066 162.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.9 p -84.06 -5.34 59.22 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 115.206 -0.906 . . . . 72.329999999999998 111.387 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -144.29 155.99 44.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.542 1.137 . . . . 73.439999999999998 108.822 173.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.56 150.13 43.41 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.706 0.802 . . . . 75.239999999999995 112.7 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 40.5 t -80.8 122.47 27.21 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.292 -1.322 . . . . 73.049999999999997 109.374 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.435 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 31.3 t70 -65.19 -40.61 94.47 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.746 0.654 . . . . 53.350000000000001 110.226 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.3 -26.57 67.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.501 0.72 . . . . 54.439999999999998 111.992 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -77.33 -50.97 11.67 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.735 0.414 . . . . 72.319999999999993 110.31 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.435 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 14.0 ptmm? -76.41 -17.88 59.12 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.577 0.584 . . . . 75.329999999999998 112.577 -170.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -93.33 -39.99 10.65 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.946 0.498 . . . . 61.329999999999998 112.188 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.1 t -111.51 -9.04 14.22 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.095 0.776 . . . . 72.329999999999998 113.095 -168.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 65.86 -72.06 0.08 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 125.233 1.413 . . . . 73.140000000000001 110.284 -169.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.18 95.53 3.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.161 0.584 . . . . 75.329999999999998 109.778 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 41.4 t -76.81 125.01 28.56 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.9 -0.778 . . . . 63.109999999999999 108.9 175.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.4 p -70.09 -26.69 64.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.076 0.951 . . . . 64.450000000000003 112.39 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.62 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 26.1 m-85 -67.94 -44.56 76.53 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.085 0.954 . . . . 71.109999999999999 110.19 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.62 -111.6 4.26 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 115.774 -0.648 . . . . 73.010000000000005 112.912 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.05 -10.28 59.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.449 0.699 . . . . 64.219999999999999 111.414 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -79.45 -6.02 56.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.359 0.663 . . . . 65.430000000000007 111.476 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.62 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 48.5 m -75.17 132.88 41.47 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.442 0.639 . . . . 72.230000000000004 111.394 174.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.82 5.75 41.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.72 1.208 . . . . 65.340000000000003 108.975 170.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -116.74 158.76 23.33 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.044 1.338 . . . . 74.510000000000005 109.027 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.17 134.68 34.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.119 0.968 . . . . 72.200000000000003 113.438 -164.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -95.24 32.3 1.76 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.509 0.723 . . . . 71.349999999999994 111.006 173.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 153.17 177.11 26.39 Favored Glycine 0 C--N 1.343 0.939 0 CA-C-N 116.46 -0.337 . . . . 64.209999999999994 112.431 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 128' ' ' LEU . 12.6 p -69.14 -27.69 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.644 0.778 . . . . 74.530000000000001 111.256 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -70.7 -30.6 67.2 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.776 0.831 . . . . 74.049999999999997 110.702 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -81.93 -24.41 35.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.561 0.744 . . . . 61.340000000000003 111.025 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 125' ' ' VAL . 26.5 mt -65.92 119.94 12.2 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.413 0.685 . . . . 74.5 112.315 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.61 134.11 44.06 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.463 -0.94 . . . . 75.030000000000001 108.463 166.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.9 pp -73.59 149.82 88.63 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-O 119.037 -0.506 . . . . 73.219999999999999 109.882 173.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -53.9 148.93 35.94 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 123.188 2.592 . . . . 61.299999999999997 113.746 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.457 ' N ' ' SD ' ' A' ' 132' ' ' MET . 0.6 OUTLIER -83.49 82.6 8.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.728 0.811 . . . . 75.209999999999994 110.184 -174.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -91.82 158.63 39.68 Favored Pre-proline 0 C--O 1.245 0.819 0 CA-C-N 114.653 -1.158 . . . . 73.430000000000007 108.938 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.4 ' O ' ' HG3' ' A' ' 137' ' ' ARG . 10.3 Cg_endo -53.22 134.26 55.88 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 122.69 2.26 . . . . 63.210000000000001 112.138 176.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -77.52 -11.08 59.82 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.179 0.592 . . . . 72.239999999999995 111.297 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.69 37.99 3.51 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-O 120.028 -0.318 . . . . 36.439999999999998 113.012 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 134' ' ' PRO . 60.3 mtm180 -73.41 88.34 1.58 Allowed 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.525 -0.546 . . . . 61.32 109.525 174.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -174.53 174.47 2.72 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.242 1.417 . . . . 72.319999999999993 107.407 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -67.92 143.25 96.19 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 109.47 -0.567 . . . . 74.439999999999998 109.47 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.83 108.04 0.6 Allowed 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.701 2.268 . . . . 72.510000000000005 111.841 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.463 ' HA ' HG22 ' A' ' 144' ' ' THR . 20.7 ptmt -137.91 5.86 2.62 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.422 0.689 . . . . 65.439999999999998 111.934 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -68.71 -27.9 66.35 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.817 0.447 . . . . 74.120000000000005 110.536 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -123.47 78.14 1.56 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.266 1.027 . . . . 72.019999999999996 108.459 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.463 HG22 ' HA ' ' A' ' 141' ' ' LYS . 14.7 p -127.85 -8.69 5.52 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 115.334 -0.848 . . . . 63.229999999999997 111.212 174.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.96 143.45 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 108.862 -0.792 . . . . 73.239999999999995 108.862 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.13 157.58 36.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.146 0.578 . . . . 64.310000000000002 111.331 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 150' ' ' PHE . 28.1 t -82.12 116.71 21.82 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.606 0.762 . . . . 60.310000000000002 110.108 -175.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.97 -47.72 82.13 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.208 1.003 . . . . 73.329999999999998 110.813 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -58.08 -48.6 79.66 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.254 -0.884 . . . . 75.409999999999997 110.835 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 147' ' ' CYS . 37.7 t80 -74.5 -25.25 59.24 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 115.1 -0.955 . . . . 74.329999999999998 111.247 -172.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.9 p -87.2 -35.88 18.31 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.749 0.42 . . . . 75.409999999999997 111.641 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 66.4 mtm -82.63 -49.03 10.27 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.839 0.456 . . . . 63.100000000000001 111.765 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.1 p -97.23 -38.37 9.72 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.016 0.436 . . . . 74.209999999999994 110.268 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 115.47 -15.21 17.66 Favored Glycine 0 C--N 1.348 1.233 0 CA-C-N 115.673 -0.694 . . . . 65.319999999999993 112.516 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -133.73 146.56 50.89 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.878 0.871 . . . . 64.310000000000002 109.477 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 50.4 t -120.45 121.4 38.42 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.892 0.877 . . . . 64.329999999999998 109.182 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -70.51 -17.06 62.95 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.774 0.829 . . . . 74.209999999999994 111.927 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -73.45 -20.86 60.6 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.294 1.038 . . . . 63.119999999999997 111.085 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.26 -131.42 41.91 Favored Glycine 0 C--N 1.353 1.503 0 O-C-N 123.998 0.811 . . . . 55.340000000000003 113.575 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 71.1 p -71.34 -22.8 61.86 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.963 0.905 . . . . 73.150000000000006 111.99 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -92.35 9.73 32.84 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.363 0.665 . . . . 73.219999999999999 112.071 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.33 128.6 36.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.795 0.838 . . . . 75.209999999999994 111.058 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -83.7 3.8 31.49 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.124 0.97 . . . . 62.240000000000002 112.196 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.85 149.14 40.52 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.073 0.949 . . . . 72.340000000000003 109.687 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 144' ' ' THR . 31.9 mt -71.54 128.08 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.807 0.843 . . . . 64.430000000000007 110.918 -176.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -90.84 95.0 9.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.366 0.667 . . . . 70.200000000000003 110.078 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -118.3 132.18 56.3 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.692 0.797 . . . . 73.150000000000006 109.314 171.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 58.8 mt -75.58 106.45 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.727 -0.842 . . . . 74.420000000000002 108.727 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 38.6 t -73.71 117.65 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 N-CA-C 109.073 -0.714 . . . . 74.5 109.073 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -68.58 122.94 19.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.278 0.631 . . . . 75.349999999999994 111.615 -174.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -77.7 144.71 29.33 Favored Glycine 0 C--N 1.343 0.95 0 N-CA-C 111.495 -0.642 . . . . 61.130000000000003 111.495 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 64.5 t30 66.18 16.39 10.42 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.599 1.16 . . . . 73.109999999999999 111.231 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 123.57 0.748 . . . . 74.439999999999998 110.77 -179.678 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.782 -0.451 . . . . 60.200000000000003 109.782 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -87.04 170.58 11.42 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.629 0.772 . . . . 74.430000000000007 111.463 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.52 -4.97 20.63 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.821 0.848 . . . . 62.240000000000002 110.675 171.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -89.9 133.54 34.71 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 108.78 -0.822 . . . . 74.219999999999999 108.78 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt 56.67 21.1 5.54 Favored 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 127.021 2.128 . . . . 74.25 113.451 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.2 p -89.4 -3.26 58.5 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.688 0.795 . . . . 74.540000000000006 112.08 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.12 159.39 40.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.063 0.945 . . . . 70.409999999999997 109.256 173.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.67 135.79 34.93 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.917 0.487 . . . . 71.019999999999996 110.898 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.39 112.83 6.19 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.435 1.094 . . . . 73.010000000000005 110.304 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.6 -39.47 91.34 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.733 0.813 . . . . 72.109999999999999 110.805 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.62 79.3 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.908 0.883 . . . . 72.25 111.753 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -68.36 -40.93 81.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.012 0.525 . . . . 75.25 110.391 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.495 ' HB2' ' HZ1' ' A' ' 108' ' ' LYS . 10.1 mtmp? -75.54 -28.97 59.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.157 -0.474 . . . . 70.400000000000006 111.99 -174.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -93.22 -43.6 8.75 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.99 0.516 . . . . 72.0 112.013 -177.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.1 t -113.48 -5.48 13.48 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.515 0.726 . . . . 54.229999999999997 112.591 -166.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 71.6 -62.04 0.47 Allowed 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.181 1.392 . . . . 72.5 110.189 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.68 142.64 48.25 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.484 0.714 . . . . 72.109999999999999 111.083 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.2 t -107.63 130.84 54.87 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.481 1.112 . . . . 72.319999999999993 108.406 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.0 m -66.58 -31.79 72.72 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.124 0.57 . . . . 62.420000000000002 111.467 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.55 -33.45 31.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.274 0.63 . . . . 73.310000000000002 110.892 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.33 -109.26 2.8 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.744 0.653 . . . . 52.130000000000003 112.661 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -79.02 -19.54 51.26 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.255 0.622 . . . . 75.409999999999997 111.663 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -90.77 12.32 19.59 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.368 0.667 . . . . 74.319999999999993 111.408 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 42.2 t -77.62 124.61 28.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.45 0.7 . . . . 72.150000000000006 109.375 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.41 14.91 7.19 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.034 0.533 . . . . 71.150000000000006 111.601 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -128.51 144.98 51.24 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.076 0.95 . . . . 72.239999999999995 109.476 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.12 141.36 54.69 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.454 1.102 . . . . 60.43 112.611 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -97.69 39.68 1.2 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.844 0.857 . . . . 63.109999999999999 110.451 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 150.86 165.47 12.81 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.238 -0.892 . . . . 72.019999999999996 111.779 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.5 p -68.28 -22.15 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.671 0.788 . . . . 61.119999999999997 110.903 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -71.31 -39.65 71.29 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.021 0.928 . . . . 73.030000000000001 110.661 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -84.13 -18.41 36.88 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.839 0.856 . . . . 74.239999999999995 110.329 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.8 tp -67.22 129.63 40.5 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.655 0.782 . . . . 63.299999999999997 111.297 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 34.3 mmt-85 -107.28 84.77 2.02 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 107.049 -1.463 . . . . 61.240000000000002 107.049 169.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -57.85 131.57 82.94 Favored Pre-proline 0 CA--C 1.554 1.106 0 O-C-N 123.473 0.483 . . . . 72.219999999999999 111.469 -171.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.41 131.56 26.76 Favored 'Trans proline' 0 C--N 1.376 2.021 0 C-N-CA 122.619 2.212 . . . . 72.239999999999995 111.108 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.5 mmt -77.17 108.63 10.41 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.414 0.686 . . . . 74.219999999999999 109.557 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -64.89 149.6 96.16 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 124.063 0.945 . . . . 73.209999999999994 110.746 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.18 116.91 3.25 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.991 2.461 . . . . 61.520000000000003 112.382 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -70.02 -39.97 75.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.384 0.673 . . . . 75.310000000000002 110.999 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.09 -82.14 0.18 Allowed Glycine 0 C--N 1.352 1.454 0 O-C-N 123.474 0.484 . . . . 60.43 112.69 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -155.13 78.34 1.03 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.578 0.751 . . . . 71.230000000000004 109.635 177.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.99 97.4 5.34 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.874 -1.158 . . . . 62.229999999999997 107.874 168.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -104.53 100.07 20.96 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 123.939 0.896 . . . . 74.010000000000005 109.863 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -89.13 5.5 4.91 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 123.021 2.481 . . . . 65.450000000000003 112.696 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.504 ' HD2' ' HB ' ' A' ' 144' ' ' THR . 2.2 tmtm? 59.7 67.78 0.85 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.82 1.248 . . . . 74.120000000000005 109.623 -174.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -66.99 -55.67 13.47 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.875 -1.057 . . . . 74.349999999999994 110.759 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.408 ' HG2' HG12 ' A' ' 165' ' ' ILE . 23.0 ttmm -79.62 78.59 6.16 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.703 0.763 . . . . 71.310000000000002 109.207 -174.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.504 ' HB ' ' HD2' ' A' ' 141' ' ' LYS . 13.1 t -128.94 -24.98 2.85 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.837 1.255 . . . . 60.32 109.739 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -79.4 150.52 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.02 0.928 . . . . 51.509999999999998 109.418 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 97.4 mt -80.39 149.53 30.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.423 0.689 . . . . 75.230000000000004 110.676 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 40.9 t -72.79 117.16 14.15 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.943 0.897 . . . . 41.240000000000002 110.352 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.05 -52.48 65.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.151 0.981 . . . . 71.25 110.847 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -58.03 -31.8 67.36 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.77 0.828 . . . . 73.230000000000004 111.688 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -79.5 -46.69 16.93 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.175 0.59 . . . . 75.209999999999994 110.596 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.1 p -73.92 -32.5 63.56 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.162 0.585 . . . . 52.350000000000001 112.304 -171.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.5 mtm -77.33 -40.97 42.27 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.995 0.518 . . . . 61.049999999999997 111.966 -176.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 65.2 p -105.71 -42.82 5.07 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.547 0.339 . . . . 73.420000000000002 111.835 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 137.55 -34.54 2.16 Favored Glycine 0 C--N 1.345 1.032 0 CA-C-N 116.241 -0.436 . . . . 61.310000000000002 112.21 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -135.83 149.39 49.04 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.737 0.815 . . . . 63.109999999999999 110.461 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.7 t -122.11 121.85 37.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.515 1.126 . . . . 41.299999999999997 109.09 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -67.92 -18.17 64.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.803 0.841 . . . . 75.230000000000004 112.771 -173.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -68.01 -37.35 81.31 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.801 0.841 . . . . 74.439999999999998 111.205 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.38 -116.2 8.51 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.518 0.511 . . . . 36.810000000000002 113.402 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.4 t -77.58 -14.3 59.69 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.413 0.685 . . . . 63.039999999999999 111.205 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -87.58 0.17 56.0 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.661 0.784 . . . . 74.310000000000002 111.25 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 21.6 t -75.68 134.25 40.6 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 122.791 0.436 . . . . 72.430000000000007 110.928 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -74.02 -26.07 60.22 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.999 0.92 . . . . 62.420000000000002 112.408 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -121.8 151.34 40.7 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.483 0.713 . . . . 65.329999999999998 111.115 -175.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.408 HG12 ' HG2' ' A' ' 143' ' ' LYS . 23.9 mt -61.42 136.34 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.691 1.196 . . . . 64.439999999999998 112.627 -168.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -95.6 94.83 7.98 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.547 0.739 . . . . 74.319999999999993 110.065 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -105.82 134.56 48.74 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.694 -1.224 . . . . 70.109999999999999 107.694 169.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.59 132.71 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 123.695 0.622 . . . . 73.230000000000004 110.792 -167.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 74.0 t -59.83 118.67 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 124.26 1.024 . . . . 63.420000000000002 110.778 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -138.46 122.98 18.48 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.764 0.826 . . . . 74.519999999999996 108.798 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -175.21 -55.87 0.06 OUTLIER Glycine 0 C--N 1.337 0.625 0 N-CA-C 110.773 -0.931 . . . . 65.420000000000002 110.773 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -129.4 88.45 2.69 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.522 -0.918 . . . . 75.120000000000005 108.522 175.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 123.494 0.718 . . . . 54.329999999999998 110.297 -178.389 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 111.875 0.324 . . . . 61.439999999999998 111.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -67.35 139.76 57.22 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.357 0.663 . . . . 64.209999999999994 110.926 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.89 146.03 26.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.849 0.86 . . . . 73.129999999999995 109.56 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -81.28 131.32 35.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.417 0.687 . . . . 73.140000000000001 109.837 -173.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt 50.18 62.26 2.76 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 126.456 1.903 . . . . 63.520000000000003 113.733 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.0 p -82.63 -10.29 59.01 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.285 -1.325 . . . . 71.219999999999999 112.039 176.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.33 166.36 26.53 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.943 0.897 . . . . 61.229999999999997 109.712 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.2 mt -75.79 148.44 38.46 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.284 0.564 . . . . 70.519999999999996 110.829 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.2 t -75.09 112.95 11.87 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.771 1.228 . . . . 38.170000000000002 110.033 -175.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.24 -34.76 78.36 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.796 0.838 . . . . 72.049999999999997 111.642 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.87 89.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.339 0.656 . . . . 64.5 110.39 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -73.89 -33.99 64.23 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.887 -1.052 . . . . 75.540000000000006 111.346 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -76.05 -31.03 58.62 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.145 -0.347 . . . . 71.519999999999996 111.591 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -85.39 -50.43 7.31 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.798 0.439 . . . . 74.519999999999996 110.904 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.2 m -97.22 -4.78 38.36 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.684 0.624 . . . . 75.219999999999999 112.684 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 68.98 9.75 7.57 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.685 1.194 . . . . 75.310000000000002 112.254 -176.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.12 144.5 9.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.307 1.043 . . . . 71.040000000000006 109.549 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 19.2 t -121.09 129.46 53.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.103 0.961 . . . . 70.310000000000002 109.677 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.6 p -74.46 -21.86 59.39 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.034 0.934 . . . . 75.299999999999997 112.126 -176.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -70.94 -26.39 63.16 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.629 0.771 . . . . 62.409999999999997 111.099 -176.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.34 -128.39 33.21 Favored Glycine 0 C--N 1.355 1.624 0 O-C-N 123.5 0.5 . . . . 74.349999999999994 113.209 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -77.4 -15.14 59.51 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.023 0.529 . . . . 62.100000000000001 111.559 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -82.57 -0.59 47.58 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.239 0.616 . . . . 61.049999999999997 111.023 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.98 127.27 32.05 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.3 0.64 . . . . 62.020000000000003 110.106 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -80.0 3.82 18.95 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.374 0.67 . . . . 74.120000000000005 112.032 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -130.88 152.65 49.98 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.867 0.867 . . . . 72.349999999999994 110.31 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 127' ' ' GLU . . . -77.78 139.82 39.38 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.543 1.137 . . . . 55.32 112.825 -167.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -98.88 28.51 4.29 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.779 0.832 . . . . 74.5 110.261 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.24 149.94 7.16 Favored Glycine 0 C--N 1.339 0.704 0 N-CA-C 110.974 -0.85 . . . . 74.140000000000001 110.974 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.86 -24.75 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.56 0.744 . . . . 74.140000000000001 111.242 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -68.37 -32.16 72.05 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.093 0.957 . . . . 75.409999999999997 111.294 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 43.7 mt-10 -83.9 -9.01 59.04 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.08 0.552 . . . . 71.109999999999999 112.397 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.23 111.64 2.06 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.132 0.491 . . . . 54.409999999999997 111.845 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -105.26 81.04 1.66 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 106.638 -1.615 . . . . 73.400000000000006 106.638 173.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.3 151.65 47.13 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 123.697 0.799 . . . . 71.319999999999993 111.253 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.62 99.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.928 2.419 . . . . 74.420000000000002 112.959 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 48.4 mtm -114.04 104.78 12.48 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.519 1.128 . . . . 71.129999999999995 109.377 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.429 ' ND2' ' HB3' ' A' ' 137' ' ' ARG . 4.3 t30 -81.23 131.1 60.03 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 108.287 -1.005 . . . . 64.450000000000003 108.287 173.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.64 -171.72 0.49 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.361 2.041 . . . . 70.519999999999996 112.711 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -72.27 92.35 1.38 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.869 0.468 . . . . 72.530000000000001 109.97 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 158.01 74.75 0.02 OUTLIER Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.249 -0.887 . . . . 44.340000000000003 111.156 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.429 ' HB3' ' ND2' ' A' ' 133' ' ' ASN . 15.5 ptm180 -152.15 140.59 20.61 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.63 0.772 . . . . 74.120000000000005 110.199 177.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.7 t30 58.44 73.62 0.47 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.728 1.211 . . . . 60.409999999999997 110.624 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -165.48 153.25 9.84 Favored Pre-proline 0 N--CA 1.479 1.014 0 CA-C-N 115.211 -0.904 . . . . 72.420000000000002 109.763 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.73 96.81 1.11 Allowed 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.497 2.131 . . . . 71.450000000000003 111.864 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -70.06 162.55 27.99 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.156 -0.683 . . . . 70.140000000000001 109.156 171.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -84.73 -60.65 2.0 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.057 -1.09 . . . . 73.430000000000007 108.057 169.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.589 ' HB3' HG12 ' A' ' 165' ' ' ILE . 34.5 mmtp -79.54 92.08 5.25 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.237 -0.892 . . . . 63.100000000000001 108.925 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.1 p -96.45 -71.5 0.67 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.926 0.891 . . . . 74.310000000000002 111.566 -171.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 38.4 t -116.5 153.04 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.48 1.112 . . . . 72.540000000000006 108.58 -174.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.99 139.83 58.38 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.905 0.482 . . . . 71.129999999999995 110.387 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.4 t -72.84 111.47 8.0 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.179 -0.674 . . . . 71.129999999999995 109.179 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -72.8 -40.33 65.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.549 0.531 . . . . 63.049999999999997 111.342 -172.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.91 -42.2 99.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.04 0.536 . . . . 72.420000000000002 110.812 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.95 -26.22 64.02 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.405 -0.816 . . . . 74.129999999999995 111.426 -176.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 60.0 p -87.09 -35.49 18.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.749 0.42 . . . . 45.039999999999999 111.572 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 74.3 mtm -76.91 -43.79 34.2 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.877 0.471 . . . . 73.310000000000002 111.622 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 44.6 p -104.81 -29.3 10.62 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.98 0.512 . . . . 71.209999999999994 111.261 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 94.97 4.21 61.62 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.873 -0.603 . . . . 53.450000000000003 112.066 -171.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -136.7 139.74 42.17 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.97 0.908 . . . . 74.409999999999997 110.103 -173.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 51.7 t -122.23 125.16 45.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.104 0.962 . . . . 74.209999999999994 108.975 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.584 ' HZ2' ' HB2' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -67.35 -24.94 65.77 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.397 0.679 . . . . 73.409999999999997 112.385 -173.374 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -80.53 -31.13 37.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.166 0.586 . . . . 74.400000000000006 110.751 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.14 -112.88 5.37 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.654 0.596 . . . . 53.229999999999997 112.286 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.1 p -76.4 -16.23 59.76 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.357 0.663 . . . . 72.040000000000006 111.352 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.57 12.51 18.58 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.193 0.997 . . . . 74.340000000000003 111.252 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.9 t -85.12 126.91 34.0 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.241 0.616 . . . . 73.540000000000006 111.251 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -78.08 -29.1 48.92 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.641 0.776 . . . . 63.539999999999999 110.536 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -79.92 143.56 34.13 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.048 0.539 . . . . 75.340000000000003 111.043 -176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.589 HG12 ' HB3' ' A' ' 143' ' ' LYS . 22.4 mt -70.19 109.11 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.637 1.175 . . . . 74.140000000000001 111.43 -169.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -73.6 107.67 6.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.043 0.537 . . . . 74.120000000000005 110.796 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -117.93 103.61 10.11 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.948 0.899 . . . . 61.140000000000001 108.828 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 64.9 mt -70.63 117.8 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 109.01 -0.737 . . . . 73.430000000000007 109.01 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 47.4 t -71.82 110.37 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 109.079 -0.711 . . . . 74.019999999999996 109.079 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -132.4 135.75 46.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.536 0.734 . . . . 62.229999999999997 110.278 -171.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -159.76 -73.19 0.02 OUTLIER Glycine 0 C--N 1.341 0.846 0 N-CA-C 110.613 -0.995 . . . . 73.329999999999998 110.613 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -158.55 50.69 0.39 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 122.063 0.935 . . . . 75.349999999999994 108.718 175.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.1 -0.954 . . . . 74.439999999999998 109.893 177.205 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 109.972 -0.381 . . . . 73.099999999999994 109.972 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -86.72 158.32 19.45 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.855 0.862 . . . . 64.510000000000005 110.262 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.78 86.75 0.96 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.246 0.618 . . . . 61.5 110.169 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -142.96 136.09 28.17 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.059 0.943 . . . . 72.239999999999995 111.11 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.567 ' HD3' ' HB3' ' A' ' 127' ' ' GLU . 15.8 ptpt 41.05 55.63 3.14 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.962 2.105 . . . . 72.319999999999993 115.573 167.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.4 p -83.37 -14.18 53.34 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.081 -0.963 . . . . 72.200000000000003 109.715 163.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.64 158.25 36.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.539 1.136 . . . . 65.420000000000002 110.223 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.57 158.5 32.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.891 0.876 . . . . 73.349999999999994 112.08 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 40.1 t -89.4 117.09 28.07 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.878 1.271 . . . . 71.200000000000003 110.257 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.95 -34.78 75.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.978 0.511 . . . . 52.229999999999997 110.818 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.31 -32.79 72.65 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.451 0.7 . . . . 71.150000000000006 111.326 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -74.38 -43.57 55.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.828 0.851 . . . . 63.009999999999998 110.456 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.496 ' HB2' ' HZ1' ' A' ' 108' ' ' LYS . 10.1 mtmp? -73.67 -24.75 60.01 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.966 0.506 . . . . 63.409999999999997 111.96 -175.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 109' ' ' ARG . 5.0 mmp_? -93.39 -51.1 5.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.232 0.613 . . . . 64.420000000000002 112.256 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.6 t -113.22 5.17 16.85 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.93 0.715 . . . . 74.519999999999996 112.93 -166.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 65.0 -79.5 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.373 1.069 . . . . 74.340000000000003 111.322 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.5 95.74 1.43 Allowed 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.516 0.726 . . . . 51.229999999999997 110.594 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 23.7 t -78.83 128.03 32.82 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.973 0.909 . . . . 72.400000000000006 109.135 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.5 m -57.02 -37.96 72.46 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.862 1.265 . . . . 73.239999999999995 114.221 -164.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -80.42 -29.53 37.65 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.052 0.541 . . . . 63.350000000000001 112.021 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.87 -103.17 0.79 Allowed Glycine 0 C--N 1.349 1.299 0 O-C-N 123.475 0.484 . . . . 73.450000000000003 112.967 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -75.27 -31.46 60.75 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.249 0.62 . . . . 74.120000000000005 110.677 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -84.77 7.31 21.1 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.555 0.742 . . . . 71.420000000000002 111.707 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.9 t -69.01 130.45 42.81 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.022 0.529 . . . . 64.209999999999994 110.112 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -64.64 -32.41 74.07 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 63.229999999999997 112.082 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -101.74 159.53 15.25 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.609 0.764 . . . . 73.430000000000007 110.948 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 100' ' ' LYS . . . -79.86 137.84 37.03 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.174 0.99 . . . . 55.329999999999998 112.539 -170.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -102.03 28.21 5.96 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.436 0.694 . . . . 75.319999999999993 109.977 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 172.99 162.52 25.22 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 116.323 -0.399 . . . . 75.409999999999997 112.76 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.2 p -63.67 -27.22 42.47 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 C-N-CA 124.329 1.052 . . . . 63.210000000000001 111.269 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -70.37 -33.63 71.65 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.309 1.044 . . . . 72.109999999999999 111.375 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.567 ' HB3' ' HD3' ' A' ' 100' ' ' LYS . 35.7 mt-10 -86.12 -1.42 57.38 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.099 0.56 . . . . 63.409999999999997 112.018 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.93 115.03 18.35 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.755 0.422 . . . . 71.329999999999998 111.31 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -86.18 146.26 26.64 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.626 -0.879 . . . . 73.010000000000005 108.626 171.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.8 154.76 91.11 Favored Pre-proline 0 CA--C 1.555 1.145 0 CA-C-N 116.028 -0.533 . . . . 70.349999999999994 110.698 176.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.68 110.16 0.69 Allowed 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.244 1.962 . . . . 74.530000000000001 110.605 168.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 23.4 ptp -111.36 169.51 8.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.001 0.92 . . . . 74.140000000000001 110.708 -174.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -153.94 154.22 29.71 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 123.415 0.686 . . . . 75.420000000000002 110.464 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.87 -34.14 54.26 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.631 2.887 . . . . 70.420000000000002 115.408 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -0.64 32.34 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 112.671 0.619 . . . . 64.519999999999996 112.671 -177.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -90.45 18.43 49.36 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-O 120.053 -0.304 . . . . 62.299999999999997 113.234 174.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -73.88 130.19 39.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.611 0.765 . . . . 75.540000000000006 110.549 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.35 94.94 0.75 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 109.081 -0.711 . . . . 55.219999999999999 109.081 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -89.3 126.79 57.45 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 115.409 -0.814 . . . . 72.140000000000001 110.169 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.15 99.82 1.28 Allowed 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 122.582 2.188 . . . . 72.409999999999997 112.572 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.531 ' HE2' HG21 ' A' ' 144' ' ' THR . 31.7 ttpt -101.55 158.16 16.28 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.658 -0.867 . . . . 75.010000000000005 108.658 170.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -56.33 -32.4 64.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.01 0.924 . . . . 74.120000000000005 112.525 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -126.49 32.72 5.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.708 0.766 . . . . 71.540000000000006 110.676 -174.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.531 HG21 ' HE2' ' A' ' 141' ' ' LYS . 31.7 p -108.17 -3.31 18.67 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 109.35 -0.611 . . . . 73.400000000000006 109.35 161.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.8 134.5 50.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 C-N-CA 124.355 1.062 . . . . 74.340000000000003 109.054 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.458 HD22 ' HB2' ' A' ' 167' ' ' LYS . 76.0 mt -74.16 152.51 39.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.466 0.706 . . . . 74.010000000000005 109.766 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 20.0 t -75.7 113.81 13.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.307 0.643 . . . . 74.340000000000003 110.095 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.1 -50.89 68.73 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.933 0.893 . . . . 74.540000000000006 110.76 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -55.15 -45.19 75.66 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.949 0.899 . . . . 72.349999999999994 111.472 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.437 ' HE1' ' HA ' ' A' ' 168' ' ' ILE . 50.5 t80 -67.06 -27.74 67.63 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.1 -0.954 . . . . 72.549999999999997 111.208 -176.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 38.7 m -88.63 -28.33 20.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.448 0.699 . . . . 70.420000000000002 112.468 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.0 mtm -86.71 -52.18 5.67 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.124 0.57 . . . . 73.140000000000001 111.421 -174.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.7 p -95.26 -31.99 13.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.276 0.63 . . . . 75.209999999999994 110.232 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 116.12 -20.84 12.52 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.547 -0.751 . . . . 37.149999999999999 112.114 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.69 150.88 52.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.573 0.749 . . . . 71.219999999999999 110.188 -177.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 39.0 t -118.54 119.61 35.03 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.185 -1.043 . . . . 53.299999999999997 108.185 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -75.59 -21.08 58.13 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.047 0.539 . . . . 74.019999999999996 111.927 -172.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -66.65 -39.34 88.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.598 0.759 . . . . 72.409999999999997 110.516 176.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.23 -112.54 5.08 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 123.625 0.578 . . . . 53.340000000000003 112.569 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.5 p -68.97 -29.43 67.64 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.765 0.826 . . . . 73.219999999999999 110.982 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 -7.91 55.63 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.05 0.94 . . . . 74.329999999999998 111.463 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 46.6 t -77.27 124.41 27.81 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 108.897 -0.779 . . . . 70.010000000000005 108.897 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -85.25 -13.77 48.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.809 0.844 . . . . 65.239999999999995 111.481 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -88.81 149.96 23.15 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.899 0.88 . . . . 71.430000000000007 111.024 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 35.5 mt -62.31 111.65 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.163 0.985 . . . . 75.409999999999997 110.606 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -74.31 91.26 2.17 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.569 0.699 . . . . 74.420000000000002 109.195 170.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.458 ' HB2' HD22 ' A' ' 146' ' ' LEU . 27.6 tptp -87.08 119.66 27.54 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 107.034 -1.469 . . . . 64.25 107.034 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.437 ' HA ' ' HE1' ' A' ' 150' ' ' PHE . 39.9 mm -69.23 96.31 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.292 0.567 . . . . 73.329999999999998 110.253 -171.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 84.0 t -100.16 134.24 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 114.558 -1.201 . . . . 71.340000000000003 108.055 175.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -61.93 -42.57 99.26 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.37 0.668 . . . . 74.120000000000005 110.634 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 76.88 57.25 3.82 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.214 -0.903 . . . . 50.310000000000002 111.861 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -69.87 87.81 0.54 Allowed 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 121.972 0.892 . . . . 44.530000000000001 110.302 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 CA-C-N 115.031 -0.986 . . . . 74.450000000000003 108.878 -177.011 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.738 0.304 . . . . 71.239999999999995 110.271 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -76.04 164.25 26.33 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.285 0.634 . . . . 55.240000000000002 111.032 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 58.41 38.53 25.73 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.81 1.244 . . . . 64.219999999999999 112.092 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -126.36 96.08 4.58 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.956 0.902 . . . . 72.239999999999995 110.264 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.594 ' HG3' ' HD3' ' A' ' 129' ' ' ARG . 0.4 OUTLIER 46.1 32.43 1.41 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 126.622 1.969 . . . . 65.510000000000005 114.913 170.41 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.5 p -82.71 -18.42 40.93 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.405 -0.816 . . . . 62.109999999999999 110.009 170.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -123.93 156.75 35.76 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.896 1.279 . . . . 73.200000000000003 108.828 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -74.66 157.4 35.4 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.365 0.666 . . . . 62.530000000000001 111.854 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.2 t -79.32 121.1 24.69 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 124.196 0.998 . . . . 64.239999999999995 109.709 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.436 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 40.4 m-20 -66.14 -30.38 70.85 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.137 0.575 . . . . 62.240000000000002 111.424 -178.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.02 68.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.141 0.577 . . . . 72.400000000000006 111.127 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 73.4 t80 -81.42 -30.91 33.4 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.104 0.562 . . . . 72.510000000000005 111.3 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.436 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 17.5 ptpt -84.44 -38.06 20.64 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 122.319 -0.238 . . . . 74.310000000000002 111.084 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -90.52 -51.08 5.58 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.735 0.414 . . . . 74.409999999999997 111.162 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.5 t -99.01 -21.8 16.05 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.433 0.693 . . . . 74.310000000000002 111.651 -173.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 95.4 mt-30 74.84 -53.64 0.67 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.675 1.59 . . . . 75.030000000000001 111.328 -172.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.73 123.68 23.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.362 0.665 . . . . 74.230000000000004 110.403 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -109.2 126.35 53.19 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.221 1.008 . . . . 74.120000000000005 109.538 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.0 m -69.1 -31.04 69.48 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.637 0.775 . . . . 75.140000000000001 112.036 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -68.47 -32.0 71.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.051 0.54 . . . . 75.120000000000005 111.061 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.79 -120.23 12.27 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 123.633 0.583 . . . . 71.310000000000002 112.695 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -77.66 -18.51 56.62 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.61 0.764 . . . . 64.510000000000005 111.403 178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -82.49 1.24 38.65 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.482 0.713 . . . . 75.120000000000005 111.785 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 37.9 t -67.36 117.25 9.09 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 122.997 0.519 . . . . 61.009999999999998 110.457 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -66.8 -34.61 78.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.549 0.74 . . . . 70.409999999999997 110.279 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -80.37 161.44 25.0 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.203 1.001 . . . . 74.549999999999997 111.873 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.24 128.12 32.91 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.108 0.963 . . . . 51.109999999999999 112.941 -170.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -97.42 68.95 2.2 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.626 0.77 . . . . 64.400000000000006 109.311 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.71 162.49 11.64 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-N 115.722 -0.672 . . . . 63.229999999999997 112.096 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.2 p -70.08 -24.57 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.304 0.642 . . . . 75.230000000000004 111.309 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -69.92 -31.22 68.87 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.305 0.642 . . . . 73.230000000000004 110.778 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -77.7 -15.4 59.18 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.83 0.852 . . . . 72.329999999999998 112.171 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 mt -67.18 116.6 8.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.726 0.41 . . . . 72.049999999999997 111.133 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.594 ' HD3' ' HG3' ' A' ' 100' ' ' LYS . 10.6 mpt_? -89.25 135.01 33.81 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.05 -1.093 . . . . 75.409999999999997 108.05 167.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.6 pp -87.64 154.44 53.4 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 122.852 0.461 . . . . 73.400000000000006 110.302 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.0 110.62 1.03 Allowed 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.073 1.849 . . . . 71.530000000000001 109.786 167.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 23.6 mmt -61.21 106.31 0.6 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.578 0.751 . . . . 73.219999999999999 110.471 -171.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.544 ' ND2' ' HA3' ' A' ' 136' ' ' GLY . 55.1 t30 -74.39 112.31 16.62 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 124.487 1.115 . . . . 73.400000000000006 110.839 -173.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.21 117.11 3.74 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 123.11 2.54 . . . . 55.109999999999999 112.378 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 69.7 16.45 7.93 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.976 1.31 . . . . 64.25 111.43 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.544 ' HA3' ' ND2' ' A' ' 133' ' ' ASN . . . -110.19 -29.54 3.7 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-O 119.819 -0.434 . . . . 75.409999999999997 112.607 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 64.96 96.74 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.772 1.229 . . . . 74.219999999999999 112.235 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 64.79 -78.8 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.539 1.536 . . . . 72.439999999999998 111.946 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -65.93 144.27 98.76 Favored Pre-proline 0 CA--C 1.557 1.25 0 C-N-CA 122.951 0.5 . . . . 72.129999999999995 111.266 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -77.19 75.0 4.81 Favored 'Trans proline' 0 C--N 1.382 2.315 0 C-N-CA 122.843 2.362 . . . . 75.340000000000003 112.458 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.76 100.9 2.46 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.763 -1.199 . . . . 64.120000000000005 107.763 174.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -69.74 -46.28 66.23 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.322 1.049 . . . . 64.239999999999995 112.47 -165.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -73.32 99.88 3.02 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.038 -0.727 . . . . 74.450000000000003 109.038 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 43.8 p -106.56 -41.54 5.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.59 0.756 . . . . 54.439999999999998 111.269 -174.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.81 139.96 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.585 0.754 . . . . 75.209999999999994 109.392 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.56 148.88 48.83 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.334 0.653 . . . . 71.439999999999998 110.851 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.8 t -82.53 113.17 20.07 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.557 -0.905 . . . . 73.349999999999994 108.557 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -67.99 -49.93 58.67 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.458 0.703 . . . . 72.430000000000007 111.151 -171.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.95 -30.24 69.49 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.19 -0.459 . . . . 73.519999999999996 111.746 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -74.76 -23.23 58.5 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 110.016 -0.364 . . . . 72.140000000000001 110.016 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.1 t -86.03 -30.49 22.63 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.291 0.636 . . . . 73.540000000000006 111.087 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.2 mtm -90.48 -53.22 4.53 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.866 0.466 . . . . 73.230000000000004 111.762 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 36.2 p -96.65 -20.64 18.14 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.106 0.562 . . . . 75.430000000000007 110.91 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 90.27 -0.3 78.03 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.219 -0.446 . . . . 60.200000000000003 112.925 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -131.92 144.33 50.76 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.457 0.703 . . . . 74.219999999999999 110.946 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 42.3 t -122.84 122.78 39.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.59 1.156 . . . . 75.340000000000003 108.911 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.531 ' HB3' ' HZ1' ' A' ' 157' ' ' LYS . 0.5 OUTLIER -72.57 -15.79 61.75 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.887 0.875 . . . . 74.420000000000002 112.6 -174.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -86.73 -27.06 23.9 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.331 0.652 . . . . 74.439999999999998 111.025 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.93 -125.74 30.76 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 111.827 -0.509 . . . . 74.340000000000003 111.827 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.4 p -71.98 -15.65 62.06 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 117.394 0.597 . . . . 71.409999999999997 112.208 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 57.7 mtm-85 -73.73 -15.78 61.2 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.44 0.696 . . . . 74.010000000000005 111.623 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.1 t -67.61 127.8 34.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.886 0.874 . . . . 64.510000000000005 110.385 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -85.07 9.12 15.65 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.454 0.702 . . . . 73.200000000000003 111.911 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -113.17 149.5 33.57 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.907 0.883 . . . . 74.340000000000003 110.533 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 44.3 mt -64.08 120.08 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.458 1.103 . . . . 72.409999999999997 110.842 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -92.46 94.14 8.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.89 0.476 . . . . 71.109999999999999 110.051 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -97.43 116.23 29.25 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.159 -1.052 . . . . 64.310000000000002 108.159 168.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 61.2 mt -68.37 130.31 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.446 0.698 . . . . 74.549999999999997 109.489 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 52.4 t -62.11 118.72 4.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.471 0.708 . . . . 64.420000000000002 110.511 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -83.68 169.53 15.2 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.53 -0.759 . . . . 74.120000000000005 110.77 -176.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 104.12 100.3 2.6 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.667 -0.519 . . . . 64.310000000000002 111.935 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 49.03 28.37 2.02 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 126.167 1.787 . . . . 62.130000000000003 113.787 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 C-N-CA 123.946 0.898 . . . . 75.530000000000001 108.781 179.802 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.397 0.142 . . . . 61.140000000000001 110.775 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -72.34 144.89 48.11 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.531 0.732 . . . . 61.240000000000002 110.262 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.81 -0.44 14.21 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.548 0.739 . . . . 72.450000000000003 112.556 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -94.74 106.06 18.03 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.815 0.446 . . . . 75.230000000000004 111.002 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 65.91 15.99 10.29 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.054 1.342 . . . . 75.519999999999996 112.899 167.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.8 p -79.43 -15.33 58.0 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.625 0.77 . . . . 73.239999999999995 110.972 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.46 142.28 49.18 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.4 1.08 . . . . 72.109999999999999 108.808 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.0 149.69 44.28 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.398 0.618 . . . . 73.120000000000005 111.681 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 53.0 t -81.93 112.83 19.39 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.848 -1.069 . . . . 65.420000000000002 109.333 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.69 -42.77 97.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.72 0.808 . . . . 75.400000000000006 110.489 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.39 -35.29 75.41 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 124.113 0.883 . . . . 62.350000000000001 111.68 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -70.73 -47.45 59.66 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.899 0.48 . . . . 73.420000000000002 110.489 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -62.71 -40.5 97.36 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.972 0.509 . . . . 75.319999999999993 111.852 -175.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -79.75 -28.72 40.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.969 0.508 . . . . 75.310000000000002 111.927 -172.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 m -113.25 -6.82 13.58 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.031 0.752 . . . . 63.210000000000001 113.031 -174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 67.34 13.64 9.43 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.879 1.272 . . . . 73.239999999999995 111.632 -172.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -170.59 134.11 1.06 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.316 1.446 . . . . 74.120000000000005 108.411 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.4 t -82.75 143.43 30.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.406 0.682 . . . . 53.25 110.916 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.5 p -66.29 -41.58 89.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.953 0.901 . . . . 74.540000000000006 111.567 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.451 ' HB2' ' HB2' ' A' ' 119' ' ' CYS . 81.4 m-85 -81.09 -33.12 33.57 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.291 0.636 . . . . 74.420000000000002 111.27 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 63.6 -103.32 0.67 Allowed Glycine 0 C--N 1.349 1.287 0 O-C-N 123.977 0.798 . . . . 75.219999999999999 113.179 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -73.74 -24.55 59.9 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.444 0.698 . . . . 71.129999999999995 111.315 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.401 ' HB2' ' HB3' ' A' ' 115' ' ' TYR . 18.5 mm-40 -77.52 -14.23 59.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.162 0.585 . . . . 75.340000000000003 111.473 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 115' ' ' TYR . 53.7 t -82.24 126.43 32.09 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.328 0.651 . . . . 75.230000000000004 109.97 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -91.03 -6.45 53.89 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.142 0.577 . . . . 54.149999999999999 111.55 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -82.71 159.65 22.53 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.647 0.779 . . . . 74.25 111.311 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.64 127.01 31.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.144 0.978 . . . . 51.149999999999999 112.732 -175.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -101.19 66.89 1.15 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.28 1.032 . . . . 75.140000000000001 108.79 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.82 165.63 14.47 Favored Glycine 0 N--CA 1.471 1.02 0 CA-C-N 115.204 -0.907 . . . . 60.219999999999999 111.7 -174.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.24 -21.2 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 122.64 0.376 . . . . 72.040000000000006 111.413 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -69.7 -33.01 71.94 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.032 0.444 . . . . 72.010000000000005 110.113 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -80.61 -24.73 38.89 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.583 -0.735 . . . . 64.409999999999997 111.062 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.08 111.55 3.94 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.93 -0.767 . . . . 73.129999999999995 108.93 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -119.11 138.44 52.9 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.641 1.176 . . . . 60.149999999999999 109.331 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.89 150.06 77.87 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 123.17 0.588 . . . . 45.0 111.009 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -83.56 50.65 3.28 Favored 'Trans proline' 0 C--N 1.383 2.347 0 C-N-CA 123.406 2.738 . . . . 62.329999999999998 111.892 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 32.0 mmt 60.64 26.17 15.9 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.897 1.279 . . . . 63.25 111.328 -173.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -131.09 118.12 17.3 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 124.518 1.127 . . . . 75.120000000000005 108.038 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -47.79 118.99 3.4 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 123.369 2.713 . . . . 74.010000000000005 112.67 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.53 116.23 6.58 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.891 0.876 . . . . 72.25 111.369 -171.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.97 -66.62 2.77 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 115.62 -0.718 . . . . 54.25 112.362 177.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -77.02 108.97 10.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 122.958 0.503 . . . . 71.150000000000006 110.909 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.433 ' N ' HD21 ' A' ' 138' ' ' ASN . 0.8 OUTLIER -87.69 -66.62 0.89 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 107.664 -1.235 . . . . 74.049999999999997 107.664 169.501 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -171.88 146.75 1.84 Allowed Pre-proline 0 N--CA 1.478 0.95 0 C-N-CA 124.736 1.214 . . . . 73.209999999999994 108.531 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -80.85 51.58 4.0 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.071 2.514 . . . . 64.230000000000004 112.239 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt 56.06 45.83 22.87 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 124.744 1.218 . . . . 75.349999999999994 110.184 -171.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -65.53 -51.97 55.98 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.871 -1.059 . . . . 72.450000000000003 110.366 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -81.06 108.62 14.88 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.573 -0.74 . . . . 43.520000000000003 109.176 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 74.2 p -113.55 -55.06 2.55 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.024 0.93 . . . . 74.439999999999998 111.097 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 61.1 t -93.4 147.74 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.907 0.883 . . . . 74.420000000000002 109.758 -176.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.435 HD21 ' HB ' ' A' ' 165' ' ' ILE . 92.8 mt -69.96 152.66 44.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.46 0.704 . . . . 72.450000000000003 110.929 176.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 24.7 t -84.81 114.0 21.76 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.202 0.601 . . . . 73.230000000000004 109.392 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -71.22 -42.23 69.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.301 0.641 . . . . 53.32 109.936 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -62.84 -32.59 73.83 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.268 0.627 . . . . 74.200000000000003 111.42 -177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -67.59 -50.29 59.0 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.319 0.648 . . . . 75.430000000000007 110.268 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.7 p -74.27 -34.66 63.63 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.268 0.627 . . . . 38.859999999999999 112.38 -172.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.7 mtm -75.79 -39.68 56.51 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.939 0.496 . . . . 73.209999999999994 112.33 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 43.6 p -96.5 -42.66 7.98 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.802 0.334 . . . . 71.430000000000007 110.659 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 141.14 -35.74 1.81 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 111.484 -0.646 . . . . 61.509999999999998 111.484 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -147.29 163.95 34.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.99 0.916 . . . . 63.43 110.61 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 36.4 t -120.5 120.46 35.93 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.375 1.07 . . . . 71.219999999999999 108.411 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -23.67 61.41 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.593 0.757 . . . . 65.140000000000001 112.614 -170.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 23.7 m-85 -66.45 -42.09 88.15 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.034 0.534 . . . . 74.430000000000007 111.811 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.91 -102.85 0.62 Allowed Glycine 0 C--N 1.347 1.144 0 O-C-N 123.651 0.595 . . . . 62.329999999999998 112.859 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 8.8 t -76.48 -20.66 56.75 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.671 0.788 . . . . 71.530000000000001 111.453 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 70.2 mtp180 -73.7 -26.02 60.51 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.326 0.651 . . . . 71.200000000000003 110.337 175.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.29 122.96 23.7 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.747 0.819 . . . . 73.409999999999997 109.889 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -79.14 -11.64 59.98 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.52 0.728 . . . . 71.120000000000005 111.826 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -93.9 149.65 21.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.76 0.824 . . . . 71.420000000000002 111.162 -174.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.435 ' HB ' HD21 ' A' ' 146' ' ' LEU . 61.6 mt -65.28 125.24 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.547 1.139 . . . . 62.439999999999998 110.909 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -97.07 94.83 7.38 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.469 0.708 . . . . 75.109999999999999 109.426 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -91.32 114.43 26.95 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.839 -1.171 . . . . 73.5 107.839 168.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 46.3 mt -68.08 97.88 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.708 0.803 . . . . 75.519999999999996 109.996 -172.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.6 130.13 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.549 0.74 . . . . 74.319999999999993 110.132 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -76.39 173.74 11.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.737 0.815 . . . . 52.039999999999999 110.888 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -60.17 -32.36 76.06 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 116.022 -0.536 . . . . 73.439999999999998 113.319 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -149.15 136.23 19.89 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.806 0.843 . . . . 74.319999999999993 109.33 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 C-N-CA 123.708 0.803 . . . . 74.400000000000006 109.227 179.749 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 110.718 -0.105 . . . . 72.120000000000005 110.718 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.77 169.38 12.13 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.343 0.657 . . . . 74.310000000000002 110.328 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.95 83.51 0.95 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.365 0.666 . . . . 53.539999999999999 110.658 -178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -149.61 136.26 19.35 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.11 -1.071 . . . . 74.109999999999999 108.11 -177.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 121' ' ' PHE . 16.9 ptpt 46.13 47.28 13.08 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.301 1.84 . . . . 73.510000000000005 113.052 -177.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -84.49 -18.66 35.11 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 113.89 -1.504 . . . . 73.340000000000003 110.941 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.21 165.93 18.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.247 1.019 . . . . 60.43 109.265 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.8 mt -77.55 148.18 35.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.835 0.454 . . . . 63.43 110.739 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.5 t -75.51 122.62 24.14 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.462 1.105 . . . . 75.450000000000003 110.389 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.29 -46.48 79.76 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.284 1.034 . . . . 73.5 111.278 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.08 77.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.685 0.794 . . . . 44.520000000000003 111.698 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -70.71 -31.08 67.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.559 0.743 . . . . 74.239999999999995 111.295 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -84.62 -34.31 23.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.637 0.375 . . . . 54.25 111.719 -177.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -86.31 -45.23 11.43 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.161 0.43 . . . . 71.230000000000004 112.161 -174.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.4 p -113.03 -2.04 14.31 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.028 0.531 . . . . 53.229999999999997 112.185 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 69.16 -71.12 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.093 1.357 . . . . 72.150000000000006 111.651 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.94 94.96 2.4 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.445 -0.576 . . . . 74.310000000000002 109.445 172.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.66 125.54 27.38 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.113 0.965 . . . . 74.230000000000004 110.109 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.8 t -71.8 -26.31 62.36 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.726 0.811 . . . . 61.25 111.655 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.55 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 42.1 m-85 -74.38 -24.73 59.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.669 0.788 . . . . 72.310000000000002 111.161 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.3 -142.46 44.48 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.415 0.447 . . . . 64.340000000000003 113.199 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -65.29 -17.29 64.39 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.33 0.652 . . . . 63.539999999999999 111.952 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -77.54 3.82 12.69 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.077 0.951 . . . . 75.540000000000006 111.92 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 80.8 m -63.6 138.83 58.66 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.851 0.86 . . . . 53.420000000000002 111.58 172.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -78.72 -6.17 55.12 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.52 0.728 . . . . 73.0 111.089 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.566 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 51.6 m-85 -124.84 159.69 30.48 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.165 0.986 . . . . 73.319999999999993 110.548 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.57 148.15 37.21 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.891 1.277 . . . . 52.240000000000002 112.819 -172.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -105.96 29.06 7.01 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.304 1.042 . . . . 73.530000000000001 109.908 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.71 157.29 18.25 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 115.766 -0.652 . . . . 54.43 111.931 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.5 -23.73 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 123.834 0.854 . . . . 61.299999999999997 111.351 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -72.66 -34.4 67.22 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.663 0.785 . . . . 75.109999999999999 110.916 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -85.09 1.08 49.39 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.187 0.595 . . . . 73.030000000000001 111.85 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.5 114.47 8.64 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.419 0.287 . . . . 62.130000000000003 110.656 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -81.35 133.84 35.48 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.578 -1.268 . . . . 75.230000000000004 107.578 164.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.82 149.92 98.03 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 118.835 -0.603 . . . . 62.43 110.081 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.33 94.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 122.846 2.364 . . . . 73.319999999999993 112.255 176.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.3 mtm -80.55 122.45 27.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.226 1.01 . . . . 75.209999999999994 110.642 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -150.04 115.34 3.43 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 108.105 -1.072 . . . . 73.129999999999995 108.105 177.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.71 148.94 72.79 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.528 2.152 . . . . 63.130000000000003 111.665 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -73.33 88.53 1.55 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.064 0.545 . . . . 75.310000000000002 109.712 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.37 -68.51 1.58 Allowed Glycine 0 C--N 1.345 1.078 0 CA-C-N 115.667 -0.697 . . . . 72.120000000000005 112.484 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -118.2 98.87 6.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.499 0.72 . . . . 74.540000000000006 109.686 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -136.9 96.71 3.36 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.936 0.895 . . . . 74.409999999999997 108.688 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -80.44 158.79 71.05 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 123.288 0.635 . . . . 74.219999999999999 109.954 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.62 112.65 1.84 Allowed 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 121.745 1.63 . . . . 71.230000000000004 110.03 168.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -92.59 100.0 12.6 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 121.645 0.736 . . . . 75.430000000000007 110.805 -174.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.45 ' HB2' ' HB2' ' A' ' 163' ' ' GLN . 24.0 p90 -135.79 -45.05 0.66 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.928 0.891 . . . . 74.099999999999994 109.791 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -94.95 49.23 1.22 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.882 0.848 . . . . 70.25 110.074 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 37.2 p -96.88 -23.26 16.43 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.687 -1.142 . . . . 74.549999999999997 109.631 169.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.87 143.3 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 124.73 1.212 . . . . 72.040000000000006 109.46 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 59.1 mt -77.39 148.12 35.68 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.154 0.582 . . . . 75.340000000000003 109.49 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 15.4 t -69.67 113.32 6.82 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.145 -0.687 . . . . 65.200000000000003 109.145 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.96 -52.61 63.34 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.896 0.878 . . . . 75.010000000000005 111.792 -168.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -69.73 -29.72 67.16 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.98 -0.554 . . . . 64.209999999999994 111.045 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -73.92 -22.56 59.64 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 109.851 -0.425 . . . . 75.209999999999994 109.851 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 51.0 m -84.06 -43.82 14.71 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.481 0.712 . . . . 45.43 111.363 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.0 mtm -83.08 -54.33 5.13 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.084 0.554 . . . . 62.450000000000003 111.687 -171.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 22.0 p -96.13 -17.33 20.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.067 0.547 . . . . 73.310000000000002 110.074 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 85.2 5.18 85.82 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 116.007 -0.542 . . . . 60.25 113.076 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -134.76 133.97 40.46 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.842 0.857 . . . . 73.329999999999998 110.433 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 35.1 t -121.74 123.2 41.28 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.116 0.966 . . . . 71.5 108.739 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.51 ' HB2' ' HZ3' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -67.68 -25.15 65.55 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.635 0.774 . . . . 61.310000000000002 112.525 -174.009 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -75.11 -31.81 61.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.479 0.712 . . . . 74.219999999999999 111.523 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.01 -115.83 8.57 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.644 0.59 . . . . 42.340000000000003 112.979 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.2 p -71.13 -24.31 62.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.206 0.602 . . . . 71.329999999999998 111.788 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -84.24 2.62 39.12 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.176 0.59 . . . . 74.230000000000004 112.153 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.32 129.28 37.69 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.128 0.571 . . . . 73.319999999999993 110.729 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . 0.45 ' HB2' ' HB2' ' A' ' 142' ' ' TYR . 26.5 pt20 -86.37 -0.16 55.31 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.068 0.547 . . . . 73.200000000000003 111.966 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -111.51 150.42 29.97 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.664 0.785 . . . . 72.120000000000005 110.39 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.62 115.3 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.865 0.866 . . . . 62.350000000000001 111.767 -173.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -81.59 102.61 10.75 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.045 0.538 . . . . 74.530000000000001 111.071 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -105.39 120.61 42.02 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 124.022 0.929 . . . . 61.009999999999998 108.934 169.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.45 125.27 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.177 -0.675 . . . . 75.209999999999994 109.177 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.99 117.28 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.993 0.917 . . . . 75.099999999999994 110.168 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -78.6 175.0 10.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.083 0.953 . . . . 74.450000000000003 110.777 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -75.16 80.47 0.97 Allowed Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.876 -0.602 . . . . 70.219999999999999 112.153 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -132.96 86.4 2.3 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.578 0.751 . . . . 62.0 109.075 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.31 0 C-N-CA 124.216 1.007 . . . . 72.150000000000006 108.538 178.377 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.882 -0.414 . . . . 71.109999999999999 109.882 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.45 150.52 34.96 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.528 0.731 . . . . 74.420000000000002 110.658 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.53 6.66 44.74 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.353 0.661 . . . . 63.219999999999999 112.397 -175.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -70.28 125.97 28.32 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 109.09 -0.707 . . . . 73.109999999999999 109.09 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.469 ' HD3' ' HB3' ' A' ' 127' ' ' GLU . 17.9 ptpt 45.72 37.76 3.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.481 1.912 . . . . 73.109999999999999 113.978 178.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.1 p -88.49 -11.98 44.27 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.255 -0.884 . . . . 72.439999999999998 110.85 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.51 158.9 39.68 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.635 1.174 . . . . 75.540000000000006 109.046 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.3 mt -76.2 156.24 33.8 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.231 0.613 . . . . 64.439999999999998 112.459 -173.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 47.4 t -88.84 123.67 33.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.513 1.125 . . . . 70.299999999999997 110.614 -175.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.506 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 63.5 m-20 -70.44 -29.53 66.14 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.443 0.697 . . . . 72.310000000000002 111.288 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.18 69.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.331 0.653 . . . . 71.209999999999994 111.041 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -78.25 -42.46 31.06 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.377 0.671 . . . . 73.420000000000002 110.938 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.506 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 17.9 ptpt -76.89 -36.4 56.72 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.18 0.192 . . . . 74.120000000000005 111.505 -174.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -91.38 -52.27 4.88 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.74 0.416 . . . . 73.310000000000002 111.945 -174.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.2 t -95.95 -26.37 15.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.079 0.552 . . . . 63.43 111.305 -173.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 65.41 20.23 11.73 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.565 1.146 . . . . 62.340000000000003 111.116 -172.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -149.28 104.79 3.42 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.991 0.917 . . . . 61.200000000000003 109.125 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.4 t -103.95 126.84 51.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.088 0.955 . . . . 63.200000000000003 109.233 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.9 p -73.93 -37.65 64.52 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.701 0.8 . . . . 65.150000000000006 112.075 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -72.49 -29.29 63.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.991 0.516 . . . . 74.400000000000006 111.878 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.9 -108.28 2.31 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.705 0.628 . . . . 72.530000000000001 113.295 176.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -75.5 -27.64 58.86 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.458 0.703 . . . . 72.109999999999999 110.91 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.65 3.35 37.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.181 0.593 . . . . 71.420000000000002 111.406 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.8 t -71.66 118.54 14.62 Favored 'General case' 0 C--N 1.348 0.501 0 N-CA-C 109.313 -0.625 . . . . 72.340000000000003 109.313 173.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.63 14.11 1.11 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.428 0.691 . . . . 72.530000000000001 112.339 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -131.29 141.38 49.95 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.288 1.035 . . . . 75.310000000000002 109.516 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.38 138.73 45.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.656 1.182 . . . . 61.340000000000003 112.696 -170.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -97.26 28.82 3.45 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.776 0.83 . . . . 53.25 110.197 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 158.66 171.07 24.03 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.754 -0.657 . . . . 71.340000000000003 111.651 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.6 p -70.42 -24.78 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.275 0.63 . . . . 72.219999999999999 111.075 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -65.34 -34.21 77.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.901 0.88 . . . . 74.420000000000002 110.896 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.469 ' HB3' ' HD3' ' A' ' 100' ' ' LYS . 46.2 mt-10 -86.08 -12.6 49.68 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.615 0.766 . . . . 74.420000000000002 111.962 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.2 mt -67.93 112.68 5.09 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.395 0.543 . . . . 53.030000000000001 110.338 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -94.77 131.04 41.04 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 107.387 -1.338 . . . . 73.319999999999993 107.387 167.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -81.82 142.33 48.72 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 119.601 -0.237 . . . . 64.340000000000003 110.432 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -59.74 129.38 30.51 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.837 2.358 . . . . 63.539999999999999 111.601 168.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 132' ' ' MET . 0.6 OUTLIER -72.1 85.79 1.03 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.469 0.708 . . . . 74.120000000000005 110.292 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -92.49 152.53 42.22 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 114.556 -1.202 . . . . 72.109999999999999 110.012 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.56 -171.79 1.13 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.443 2.095 . . . . 71.239999999999995 111.821 175.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -78.46 82.35 4.74 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 109.22 -0.659 . . . . 74.409999999999997 109.22 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -89.07 -51.75 2.92 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-N 115.278 -0.874 . . . . 61.32 112.227 -178.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -76.2 111.61 11.8 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.375 0.607 . . . . 74.040000000000006 110.21 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -136.43 119.67 16.71 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.13 0.972 . . . . 74.209999999999994 109.142 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -70.93 149.15 94.9 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-O 119.059 -0.496 . . . . 74.219999999999999 110.015 175.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -49.26 -28.91 15.87 Favored 'Trans proline' 0 C--N 1.387 2.596 0 C-N-CA 123.968 3.112 . . . . 52.399999999999999 115.236 -173.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -79.61 82.68 5.69 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.251 0.62 . . . . 73.109999999999999 109.555 176.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -77.95 -55.4 5.34 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.973 0.509 . . . . 75.219999999999999 110.011 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -75.11 102.46 4.92 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 107.994 -1.113 . . . . 71.319999999999993 107.994 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.9 p -111.4 -42.5 3.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.883 0.873 . . . . 75.400000000000006 111.084 -172.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.1 t -83.5 145.2 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.554 0.742 . . . . 62.119999999999997 109.292 177.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.35 153.22 40.59 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.254 0.622 . . . . 72.439999999999998 111.224 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 11.7 t -86.86 114.26 23.36 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.482 0.713 . . . . 74.209999999999994 109.556 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -64.76 -51.7 60.89 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.661 0.785 . . . . 61.0 110.64 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.37 -45.25 95.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.6 -0.727 . . . . 74.409999999999997 111.436 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.434 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 47.6 t80 -71.55 -23.73 61.81 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.089 -0.505 . . . . 74.450000000000003 111.813 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.0 p -85.97 -36.23 19.94 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 122.3 -0.25 . . . . 64.299999999999997 111.19 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 69.8 mtm -86.12 -52.34 5.74 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.918 0.487 . . . . 75.109999999999999 111.92 -174.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 62.9 p -95.85 -26.68 15.53 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.977 0.511 . . . . 64.299999999999997 110.625 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 88.51 2.25 79.7 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.769 -0.65 . . . . 74.239999999999995 112.694 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -125.31 128.36 48.11 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.161 0.984 . . . . 75.409999999999997 109.203 -175.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 49.5 t -121.42 122.58 40.1 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.617 0.767 . . . . 72.150000000000006 109.235 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.66 -52.24 62.97 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.215 1.406 . . . . 65.219999999999999 111.919 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -70.65 -24.74 62.76 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 114.912 -1.04 . . . . 72.439999999999998 112.427 -173.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.82 -117.87 9.14 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 123.457 0.473 . . . . 44.130000000000003 113.272 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 36.2 p -75.67 -29.72 59.16 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.888 0.475 . . . . 73.109999999999999 110.873 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -75.45 -0.53 20.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.294 0.638 . . . . 74.409999999999997 112.121 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 51.5 t -63.24 122.25 15.68 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.14 0.576 . . . . 73.439999999999998 109.826 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -81.07 12.0 3.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.043 0.937 . . . . 53.219999999999999 111.779 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -121.73 149.24 43.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.602 1.161 . . . . 74.430000000000007 110.324 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.405 HG21 ' HG2' ' A' ' 167' ' ' LYS . 25.7 mt -68.34 121.35 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.909 0.884 . . . . 74.200000000000003 110.487 -178.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -85.9 98.99 11.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.297 0.639 . . . . 62.340000000000003 110.827 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.405 ' HG2' HG21 ' A' ' 165' ' ' ILE . 32.4 mmmt -115.96 117.95 31.57 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.846 0.858 . . . . 72.040000000000006 109.351 173.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 63.2 mt -78.02 101.68 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.298 -1.001 . . . . 74.299999999999997 108.298 172.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.42 109.71 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.146 0.578 . . . . 72.340000000000003 109.616 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -69.33 148.04 50.26 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.608 0.763 . . . . 72.299999999999997 111.876 -173.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 136.84 154.57 6.76 Favored Glycine 0 C--N 1.341 0.842 0 CA-C-N 115.659 -0.7 . . . . 44.539999999999999 111.746 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 67.53 -76.73 0.05 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.068 1.347 . . . . 75.120000000000005 111.511 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 C-N-CA 123.797 0.839 . . . . 43.119999999999997 109.199 -178.542 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.879 -0.415 . . . . 71.299999999999997 109.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -88.11 160.4 17.81 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.287 1.035 . . . . 72.310000000000002 109.804 176.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 86.79 0.21 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.518 0.727 . . . . 74.310000000000002 111.296 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -116.83 138.2 51.67 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 124.386 1.074 . . . . 74.230000000000004 109.247 174.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.516 ' HB2' ' HD3' ' A' ' 129' ' ' ARG . 31.6 mmtp 62.26 21.95 12.84 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.351 1.46 . . . . 64.0 111.828 174.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.2 p -78.63 -8.14 58.35 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.923 0.889 . . . . 71.0 112.633 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.3 165.21 29.95 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.656 0.782 . . . . 55.130000000000003 110.138 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.79 149.84 47.52 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.177 0.591 . . . . 73.329999999999998 111.453 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.0 t -88.93 120.32 30.23 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.668 0.787 . . . . 72.310000000000002 110.243 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.41 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 29.6 t70 -66.28 -37.16 84.81 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.622 0.769 . . . . 74.219999999999999 110.481 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.97 -22.1 64.13 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.555 0.742 . . . . 75.129999999999995 112.032 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 87.5 t80 -86.99 -36.12 18.43 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 122.995 0.518 . . . . 65.219999999999999 111.206 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 14.5 ptmm? -86.31 -37.88 18.07 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 111.979 0.363 . . . . 71.430000000000007 111.979 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -92.73 -50.53 5.53 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.635 0.774 . . . . 72.319999999999993 111.896 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.2 t -92.7 -12.93 30.21 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.042 0.537 . . . . 71.230000000000004 111.66 -175.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 23.6 tp60 69.59 -67.8 0.21 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.624 1.57 . . . . 70.230000000000004 111.505 -175.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.21 106.48 7.85 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.147 0.579 . . . . 71.310000000000002 110.034 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.77 125.75 30.08 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.846 0.858 . . . . 73.430000000000007 109.594 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.5 p -67.92 -32.59 73.16 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.823 0.849 . . . . 71.530000000000001 112.128 -172.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -72.96 -41.39 64.47 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.703 0.401 . . . . 75.319999999999993 111.091 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.16 -107.46 1.97 Allowed Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.992 -0.549 . . . . 61.530000000000001 112.551 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -73.82 -19.78 60.65 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.351 0.661 . . . . 75.219999999999999 111.56 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -89.02 0.73 56.42 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.585 0.754 . . . . 70.25 111.697 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 45.9 t -71.48 130.55 41.56 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.153 0.581 . . . . 70.349999999999994 110.367 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -81.18 -7.06 59.49 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.062 0.545 . . . . 75.400000000000006 111.284 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -110.25 154.43 23.43 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.964 0.905 . . . . 72.319999999999993 110.561 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.39 138.72 43.55 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.778 1.231 . . . . 73.120000000000005 112.487 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -108.77 29.19 7.68 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.713 0.805 . . . . 74.099999999999994 109.916 174.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.84 154.7 13.2 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 111.809 -0.516 . . . . 75.340000000000003 111.809 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.496 ' HA ' HD23 ' A' ' 128' ' ' LEU . 12.1 p -63.05 -32.81 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.045 0.938 . . . . 74.329999999999998 111.555 -177.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -68.05 -24.44 65.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.18 0.992 . . . . 61.0 111.588 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -86.4 -7.44 58.44 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.242 -0.885 . . . . 73.019999999999996 113.168 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 125' ' ' VAL . 4.3 mm? -67.47 110.34 3.59 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 119.73 1.15 . . . . 71.25 111.206 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 100' ' ' LYS . 10.7 mpt_? -95.86 -179.29 4.66 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.312 1.045 . . . . 61.119999999999997 109.205 169.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.425 HD12 ' NE2' ' A' ' 139' ' ' HIS . 4.0 pp -130.28 154.17 81.39 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 114.902 -1.045 . . . . 73.019999999999996 109.721 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.67 122.93 12.48 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 122.752 2.302 . . . . 65.219999999999999 112.745 171.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -69.28 101.01 1.41 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.242 1.017 . . . . 73.530000000000001 110.656 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.439 HD21 ' HB2' ' A' ' 139' ' ' HIS . 44.6 t30 -74.57 123.09 88.84 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 123.516 0.726 . . . . 71.200000000000003 109.766 176.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.85 163.1 16.88 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 123.181 2.587 . . . . 54.020000000000003 112.871 176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -75.53 101.32 4.84 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.128 0.571 . . . . 74.420000000000002 109.906 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -179.17 -75.3 0.06 OUTLIER Glycine 0 C--N 1.34 0.796 0 N-CA-C 109.242 -1.543 . . . . 52.240000000000002 109.242 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -74.73 150.37 39.46 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.987 0.915 . . . . 64.25 109.41 170.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -73.24 166.69 22.67 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.887 0.475 . . . . 72.239999999999995 110.355 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.656 ' HB3' HG22 ' A' ' 144' ' ' THR . 48.2 t-80 -131.77 140.88 39.65 Favored Pre-proline 0 CA--C 1.555 1.159 0 N-CA-C 108.613 -0.884 . . . . 61.049999999999997 108.613 178.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -59.05 -3.42 1.6 Allowed 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 124.114 3.209 . . . . 60.009999999999998 116.496 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.562 ' HG2' ' H ' ' A' ' 143' ' ' LYS . 3.8 ttmp? -70.25 138.33 51.56 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.857 0.753 . . . . 64.299999999999997 109.62 170.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -63.0 -23.23 67.35 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.343 1.057 . . . . 74.239999999999995 112.594 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.562 ' H ' ' HG2' ' A' ' 141' ' ' LYS . 4.5 ttmp? -111.4 73.95 0.84 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.99 0.916 . . . . 62.229999999999997 109.402 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.656 HG22 ' HB3' ' A' ' 139' ' ' HIS . 45.2 p -136.35 -43.25 0.62 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.797 0.839 . . . . 73.519999999999996 110.001 177.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.0 t -78.84 152.09 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 N-CA-C 108.542 -0.911 . . . . 72.450000000000003 108.542 172.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 56.8 mt -77.16 157.56 30.87 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.984 0.513 . . . . 72.099999999999994 111.804 -175.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.2 118.66 19.16 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.386 1.074 . . . . 64.409999999999997 110.146 -175.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.57 -47.91 83.71 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.471 1.108 . . . . 75.540000000000006 111.097 -175.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.68 -43.28 97.15 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.163 -0.926 . . . . 73.319999999999993 110.924 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.83 -24.11 61.65 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.703 -0.68 . . . . 64.219999999999999 110.442 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.4 t -80.68 -34.46 34.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.458 0.703 . . . . 55.310000000000002 111.137 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.7 mtm -86.02 -52.52 5.65 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.134 0.574 . . . . 55.240000000000002 111.496 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 35.9 p -97.01 -19.47 18.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.245 0.618 . . . . 73.209999999999994 111.307 -172.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 88.66 -3.21 85.01 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-N 116.259 -0.428 . . . . 54.549999999999997 112.549 -174.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -136.58 143.16 43.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.86 0.864 . . . . 61.439999999999998 110.227 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 53.6 t -122.07 138.16 54.55 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.989 0.915 . . . . 71.409999999999997 108.929 175.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -77.02 -50.76 12.39 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.678 0.791 . . . . 74.25 111.652 -174.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . 0.424 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 35.4 m-85 -65.99 -28.87 69.22 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 113.056 0.761 . . . . 74.200000000000003 113.056 -174.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.84 -109.07 2.71 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 123.186 0.304 . . . . 65.239999999999995 113.111 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 15.0 t -72.58 -24.36 61.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.999 0.519 . . . . 71.329999999999998 110.745 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.424 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 56.5 mtp180 -77.17 -11.42 59.82 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.711 0.804 . . . . 74.450000000000003 111.769 177.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.48 137.73 48.42 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 123.064 0.545 . . . . 72.120000000000005 110.537 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.72 -49.89 48.87 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.397 -0.82 . . . . 72.200000000000003 111.19 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -93.38 151.44 19.76 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.064 0.946 . . . . 71.129999999999995 111.926 -166.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.23 129.71 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 124.517 1.127 . . . . 62.25 112.227 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -86.56 94.17 9.37 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.159 -0.682 . . . . 75.120000000000005 109.159 172.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -106.78 130.86 54.41 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.227 -1.027 . . . . 73.530000000000001 108.227 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 44.2 mm -65.97 116.65 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.935 0.494 . . . . 64.319999999999993 109.81 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 45.4 t -69.63 124.07 24.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.676 1.19 . . . . 73.25 110.363 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.53 126.28 28.83 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.663 0.785 . . . . 75.099999999999994 110.821 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 147.78 -61.8 0.44 Allowed Glycine 0 C--N 1.34 0.755 0 N-CA-C 111.145 -0.782 . . . . 51.049999999999997 111.145 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -80.04 84.11 5.82 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.649 0.78 . . . . 73.349999999999994 110.076 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.194 0 C-N-CA 124.024 0.93 . . . . 72.099999999999994 108.7 179.574 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.571 0.225 . . . . 73.109999999999999 110.513 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.28 172.79 13.3 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.811 0.844 . . . . 65.409999999999997 110.341 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.15 84.51 0.24 Allowed 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.53 0.681 . . . . 72.299999999999997 110.912 176.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -154.72 117.42 4.35 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 106.187 -1.783 . . . . 72.219999999999999 106.187 176.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt 53.47 15.77 0.78 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 126.023 1.729 . . . . 75.340000000000003 113.358 -174.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 p -85.54 0.47 52.34 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.177 0.991 . . . . 71.230000000000004 110.597 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -143.08 154.05 43.55 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.199 1.4 . . . . 50.420000000000002 108.308 172.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.25 156.36 38.57 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 121.655 0.74 . . . . 71.209999999999994 112.672 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.1 t -87.44 114.54 24.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.915 1.286 . . . . 75.049999999999997 109.642 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -68.59 -38.66 80.84 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.216 0.606 . . . . 74.310000000000002 110.901 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.85 70.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.701 0.801 . . . . 72.140000000000001 111.593 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -74.49 -33.25 62.8 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.393 0.677 . . . . 74.519999999999996 110.934 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -84.68 -26.2 27.92 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 122.623 0.369 . . . . 72.040000000000006 111.509 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -91.0 -51.74 5.19 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.957 0.503 . . . . 73.310000000000002 111.299 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.7 t -87.44 -13.51 43.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.299 0.64 . . . . 71.25 111.657 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 75.58 -65.51 0.32 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.08 1.352 . . . . 53.450000000000003 109.229 -175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.35 109.26 18.88 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.162 0.585 . . . . 71.140000000000001 109.524 170.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.0 t -70.43 132.25 45.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.72 0.808 . . . . 71.219999999999999 109.912 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.7 m -62.7 -37.76 87.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.811 0.845 . . . . 62.119999999999997 112.318 -172.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -75.73 -29.23 58.83 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.698 0.399 . . . . 74.219999999999999 110.995 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.96 -121.58 16.79 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.219 -0.446 . . . . 60.439999999999998 112.186 -177.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.04 -14.4 61.41 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.117 0.567 . . . . 73.239999999999995 111.668 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -83.95 -0.53 51.83 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.652 0.781 . . . . 72.239999999999995 111.332 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.1 t -71.81 128.11 34.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.712 0.805 . . . . 73.409999999999997 110.684 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -70.52 -22.48 62.62 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.049 0.94 . . . . 71.400000000000006 112.311 -175.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -103.0 161.16 13.99 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.639 0.775 . . . . 73.049999999999997 111.098 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.08 136.4 41.16 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.698 1.199 . . . . 71.439999999999998 113.112 -170.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -98.7 85.53 3.35 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.724 0.81 . . . . 74.209999999999994 109.535 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.76 157.32 33.48 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 115.667 -0.697 . . . . 75.120000000000005 111.683 -174.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.05 -23.13 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.342 0.657 . . . . 54.109999999999999 110.486 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -68.14 -37.18 80.79 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.701 -0.681 . . . . 74.439999999999998 110.966 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -85.12 -14.75 46.12 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.754 0.821 . . . . 71.400000000000006 109.225 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tt -70.7 112.52 6.99 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.365 -0.976 . . . . 64.230000000000004 108.365 174.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.26 112.85 24.92 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.047 -1.094 . . . . 64.439999999999998 108.047 175.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.0 150.64 95.0 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.552 1.141 . . . . 74.329999999999998 112.57 -171.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.18 152.37 39.87 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.504 2.136 . . . . 65.299999999999997 112.227 173.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.473 ' N ' ' SD ' ' A' ' 132' ' ' MET . 0.9 OUTLIER -92.79 56.94 2.74 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 108.412 -0.959 . . . . 74.219999999999999 108.412 176.076 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.446 ' HB2' ' HB3' ' A' ' 137' ' ' ARG . 26.0 p-10 -85.45 147.8 47.82 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 114.173 -1.376 . . . . 73.319999999999993 111.57 -169.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -80.38 168.11 18.63 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.406 2.071 . . . . 53.109999999999999 111.666 169.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -65.45 114.22 4.69 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.146 0.579 . . . . 74.409999999999997 110.124 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 124.79 -23.07 6.33 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 116.223 -0.444 . . . . 44.210000000000001 112.366 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.446 ' HB3' ' HB2' ' A' ' 133' ' ' ASN . 24.3 tpp180 -84.73 133.73 34.36 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.018 0.527 . . . . 74.519999999999996 109.738 174.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.79 146.36 54.52 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.681 0.792 . . . . 74.120000000000005 110.839 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -161.94 160.16 22.01 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 123.872 0.869 . . . . 65.430000000000007 109.974 -176.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.48 107.58 0.51 Allowed 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 121.765 1.643 . . . . 60.32 108.767 160.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -58.86 86.18 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 122.007 0.908 . . . . 75.5 112.801 -167.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.408 ' HB2' ' HB2' ' A' ' 163' ' ' GLN . 47.3 p90 -95.54 -38.7 10.31 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.043 -0.98 . . . . 72.400000000000006 110.325 -177.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -122.37 85.6 2.44 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 108.691 -0.855 . . . . 71.430000000000007 108.691 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.1 p -135.63 -47.46 0.68 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.502 1.121 . . . . 72.230000000000004 108.86 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 33.6 t -93.65 151.12 3.75 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-N 114.897 -1.047 . . . . 75.109999999999999 108.82 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.96 153.07 44.52 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.115 0.566 . . . . 73.519999999999996 110.835 176.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.76 113.94 9.32 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.602 -0.888 . . . . 75.540000000000006 108.602 171.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.42 -45.41 88.52 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.049 0.939 . . . . 73.310000000000002 112.001 -170.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' A' ' 149' ' ' LYS . 9.7 mmpt? -72.43 -41.66 65.92 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.578 -0.737 . . . . 72.439999999999998 111.577 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.479 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 46.9 t80 -71.18 -26.61 63.04 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 122.196 -0.315 . . . . 74.409999999999997 111.127 -177.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.8 p -82.47 -48.86 10.57 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.912 0.485 . . . . 70.209999999999994 111.142 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 78.5 mtm -83.65 -54.05 5.21 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.743 0.417 . . . . 73.439999999999998 111.989 -173.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 68.5 p -97.24 -8.34 30.12 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.704 0.401 . . . . 65.219999999999999 111.633 -175.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 80.8 -0.56 86.21 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 114.0 0.36 . . . . 74.439999999999998 114.0 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -134.74 125.64 27.4 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.613 0.765 . . . . 73.340000000000003 109.016 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . 0.479 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 52.6 t -106.57 121.76 44.96 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.176 -0.675 . . . . 71.540000000000006 109.176 176.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.484 ' HB2' ' HZ1' ' A' ' 157' ' ' LYS . 0.1 OUTLIER -72.52 -23.2 60.97 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.858 0.863 . . . . 74.530000000000001 112.261 -175.488 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . 0.536 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 78.8 m-85 -79.25 -32.82 43.88 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.22 0.608 . . . . 72.140000000000001 110.914 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.68 -109.38 2.72 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 116.067 -0.515 . . . . 72.129999999999995 113.341 177.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 67.7 p -72.96 -25.48 61.03 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.513 0.725 . . . . 75.230000000000004 111.014 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.3 mtm-85 -73.35 -21.35 60.56 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.665 -0.698 . . . . 75.230000000000004 110.871 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . 0.536 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 46.1 t -71.58 118.34 14.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.545 0.738 . . . . 74.329999999999998 110.792 -178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . 0.408 ' HB2' ' HB2' ' A' ' 142' ' ' TYR . 18.6 pm0 -92.18 -21.3 20.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.167 0.987 . . . . 62.119999999999997 110.804 -177.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -78.64 151.18 32.43 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.595 0.758 . . . . 73.530000000000001 111.416 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 30.1 mt -56.24 111.11 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.909 1.284 . . . . 65.25 112.838 -166.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -83.35 91.58 7.36 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.24 0.543 . . . . 74.099999999999994 109.61 167.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.534 ' HZ2' ' HB2' ' A' ' 167' ' ' LYS . 3.6 ttmp? -121.2 134.46 55.2 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 123.93 0.892 . . . . 75.219999999999999 109.014 170.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 69.1 mt -72.47 99.19 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 109.067 -0.716 . . . . 60.020000000000003 109.067 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 42.8 t -81.08 109.94 15.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 108.704 -0.851 . . . . 62.530000000000001 108.704 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -84.79 149.76 25.51 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.583 0.753 . . . . 73.430000000000007 110.587 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -72.75 -16.54 77.98 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.985 -0.552 . . . . 50.229999999999997 114.246 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -95.99 150.82 20.04 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.251 0.62 . . . . 73.129999999999995 110.168 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 C-N-CA 124.003 0.921 . . . . 71.219999999999999 108.646 -179.304 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 110.883 -0.043 . . . . 73.329999999999998 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -65.91 130.26 42.66 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.216 0.606 . . . . 54.329999999999998 110.713 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.95 83.93 7.02 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 122.905 0.482 . . . . 72.430000000000007 110.48 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -117.22 83.11 1.92 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 107.801 -1.185 . . . . 71.010000000000005 107.801 171.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 67.86 28.28 7.07 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.72 1.208 . . . . 74.010000000000005 110.969 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 65.1 p -77.87 -23.22 48.89 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 114.788 -1.096 . . . . 75.150000000000006 110.461 171.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.47 156.09 45.36 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.087 1.355 . . . . 73.019999999999996 108.762 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 122' ' ' ALA . 98.7 mt -71.56 154.68 41.28 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.088 0.555 . . . . 70.310000000000002 111.159 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . 44.5 t -81.18 116.64 21.17 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.032 0.933 . . . . 73.25 110.493 -175.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.24 -42.29 94.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.171 0.988 . . . . 74.129999999999995 111.244 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.75 77.79 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.052 0.941 . . . . 74.140000000000001 111.869 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.427 ' HB3' ' HB3' ' A' ' 104' ' ' CYS . 78.9 t80 -74.63 -29.88 61.44 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.779 0.832 . . . . 73.010000000000005 111.055 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.524 ' HB2' ' HZ3' ' A' ' 108' ' ' LYS . 10.4 mtmp? -81.08 -31.49 34.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.419 0.288 . . . . 72.099999999999994 111.328 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -91.54 -50.87 5.55 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.059 0.544 . . . . 74.409999999999997 111.895 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.6 t -103.87 -12.62 16.78 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.361 0.664 . . . . 74.530000000000001 111.95 -171.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 72.24 -61.48 0.49 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.296 1.438 . . . . 71.439999999999998 110.629 -172.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.31 114.18 8.19 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.348 0.659 . . . . 62.32 110.231 172.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.1 t -93.12 126.58 38.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.259 1.024 . . . . 61.039999999999999 109.261 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.3 m -64.69 -32.03 73.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.7 0.8 . . . . 72.099999999999994 112.106 -174.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -72.81 -32.1 65.3 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.94 0.496 . . . . 71.120000000000005 111.533 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 61.11 -111.09 3.51 Favored Glycine 0 C--N 1.352 1.422 0 O-C-N 123.581 0.55 . . . . 74.349999999999994 114.167 174.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -70.62 -32.38 69.7 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.447 0.699 . . . . 74.400000000000006 110.674 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -90.46 19.5 5.21 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.074 0.949 . . . . 73.230000000000004 111.569 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.5 t -81.68 123.39 28.68 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.584 0.754 . . . . 62.009999999999998 110.278 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -88.12 16.09 6.59 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.718 0.807 . . . . 65.310000000000002 111.446 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -132.39 149.31 52.37 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.813 0.845 . . . . 61.5 109.44 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.496 ' HB2' HD22 ' A' ' 103' ' ' LEU . . . -74.44 131.45 41.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.356 1.062 . . . . 70.140000000000001 113.779 -163.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -98.77 34.71 2.0 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.099 0.96 . . . . 75.239999999999995 110.628 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 151.63 174.7 22.64 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 115.629 -0.714 . . . . 60.32 111.762 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.84 -30.13 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.336 0.654 . . . . 64.230000000000004 110.175 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -65.89 -33.35 75.63 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.383 -0.826 . . . . 62.439999999999998 110.791 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -83.09 -25.01 32.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.727 0.811 . . . . 73.439999999999998 111.07 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.3 tp -82.41 112.76 19.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.578 0.751 . . . . 74.019999999999996 111.405 -172.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.3 98.81 6.33 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 106.834 -1.543 . . . . 72.420000000000002 106.834 167.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.07 162.31 40.13 Favored Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 123.09 0.556 . . . . 62.439999999999998 111.315 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -45.97 122.76 5.53 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.765 2.31 . . . . 74.129999999999995 111.969 168.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.444 ' HA ' ' HE2' ' A' ' 132' ' ' MET . 25.1 mmt -56.48 105.58 0.22 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.961 0.905 . . . . 74.409999999999997 112.274 -168.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -83.45 132.89 48.3 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.357 -0.838 . . . . 71.510000000000005 109.705 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.49 115.7 2.63 Favored 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 123.025 2.483 . . . . 62.119999999999997 112.198 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -84.07 5.31 26.47 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.337 0.655 . . . . 74.530000000000001 111.595 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -92.6 41.36 2.76 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 111.95 -0.46 . . . . 61.149999999999999 111.95 171.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -69.26 119.13 13.05 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 123.761 0.824 . . . . 74.400000000000006 109.238 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -141.14 151.86 44.23 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.372 0.669 . . . . 74.430000000000007 110.054 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -130.85 85.74 54.42 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 108.425 -0.954 . . . . 74.010000000000005 108.425 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -86.99 44.04 1.08 Allowed 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 123.349 2.699 . . . . 74.120000000000005 112.386 -176.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.431 ' HG2' ' H ' ' A' ' 143' ' ' LYS . 56.2 tttp -71.43 146.77 48.46 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.812 0.845 . . . . 72.329999999999998 110.279 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -55.69 -39.88 71.59 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.823 0.849 . . . . 63.219999999999999 111.212 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.431 ' H ' ' HG2' ' A' ' 141' ' ' LYS . 47.2 mttp -101.72 91.97 4.64 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.917 0.887 . . . . 74.120000000000005 110.518 176.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 31.6 p -129.82 -43.93 1.21 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.814 0.846 . . . . 75.519999999999996 109.026 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 44.8 t -96.14 150.47 4.32 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 C-N-CA 124.49 1.116 . . . . 73.140000000000001 109.143 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.419 HD22 ' HB ' ' A' ' 165' ' ' ILE . 91.5 mt -70.78 160.04 33.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.221 0.608 . . . . 63.140000000000001 110.505 174.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . 0.454 ' HB3' ' HB3' ' A' ' 150' ' ' PHE . 24.8 t -74.76 112.7 11.24 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.067 -0.716 . . . . 73.430000000000007 109.067 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.5 -33.12 70.86 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.495 0.718 . . . . 75.439999999999998 111.365 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -63.1 -50.13 71.7 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.382 0.673 . . . . 71.299999999999997 109.888 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.513 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 57.3 t80 -67.58 -21.59 65.42 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.618 -1.174 . . . . 71.420000000000002 111.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.434 ' HA ' HG22 ' A' ' 169' ' ' VAL . 32.4 t -84.68 -44.47 13.39 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.276 0.63 . . . . 73.329999999999998 111.653 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 75.5 mtm -82.76 -46.85 12.63 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.033 0.533 . . . . 70.540000000000006 111.887 -171.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.4 p -95.89 -23.09 17.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.739 0.416 . . . . 55.399999999999999 110.216 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 93.88 -4.95 72.37 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.954 -0.566 . . . . 63.130000000000003 112.503 -176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -133.66 140.19 46.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.678 0.791 . . . . 75.219999999999999 110.995 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 46.2 t -121.52 122.58 40.04 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.174 0.99 . . . . 72.409999999999997 108.898 176.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -73.39 -17.2 61.3 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.714 0.806 . . . . 38.659999999999997 112.346 -173.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -81.77 -40.16 23.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.163 0.585 . . . . 75.329999999999998 111.116 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.94 -113.35 5.68 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 123.384 0.428 . . . . 45.310000000000002 112.587 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 11.5 t -71.9 -16.54 62.13 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.227 0.611 . . . . 62.009999999999998 111.19 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -90.97 7.14 41.75 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.957 0.903 . . . . 74.230000000000004 111.725 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.42 130.3 34.62 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.303 0.641 . . . . 70.540000000000006 110.457 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -83.82 -4.03 58.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.716 0.406 . . . . 73.450000000000003 111.559 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.24 151.25 21.68 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.907 0.883 . . . . 72.310000000000002 110.806 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.419 ' HB ' HD22 ' A' ' 146' ' ' LEU . 33.0 mt -69.13 125.36 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.848 0.859 . . . . 74.209999999999994 111.153 -175.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -97.52 101.07 12.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.205 0.602 . . . . 75.140000000000001 110.567 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -118.19 137.19 53.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.013 0.925 . . . . 75.310000000000002 108.592 169.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 66.0 mt -67.01 104.75 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.286 0.634 . . . . 63.32 109.504 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.434 HG22 ' HA ' ' A' ' 151' ' ' SER . 54.0 t -72.77 117.3 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 115.168 -0.924 . . . . 72.540000000000006 110.403 -174.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.33 -25.77 65.28 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.592 0.757 . . . . 73.319999999999993 110.873 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -76.15 -30.42 57.2 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-N 115.615 -0.72 . . . . 71.230000000000004 113.428 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -156.94 100.35 1.88 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.941 0.496 . . . . 75.150000000000006 110.302 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.144 0.977 . . . . 74.329999999999998 108.605 174.737 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.155 -0.313 . . . . 72.310000000000002 110.155 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -85.06 172.73 11.04 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.331 1.053 . . . . 73.439999999999998 110.328 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 132' ' ' MET . . . -65.94 81.55 0.08 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.773 0.797 . . . . 71.340000000000003 110.01 174.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -156.53 128.51 7.35 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 106.494 -1.669 . . . . 73.349999999999994 106.494 -172.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 121' ' ' PHE . 20.6 pttp 46.24 37.13 3.75 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.671 1.589 . . . . 72.310000000000002 112.465 -175.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.9 p -88.48 -13.48 40.19 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 113.994 -1.457 . . . . 64.129999999999995 110.601 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -124.72 145.0 49.93 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.624 1.17 . . . . 63.299999999999997 108.4 171.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.484 HD23 ' HB1' ' A' ' 122' ' ' ALA . 78.9 mt -66.11 157.26 31.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.461 0.704 . . . . 72.409999999999997 112.175 -177.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.8 t -84.09 139.51 32.42 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.182 0.993 . . . . 71.420000000000002 111.187 -177.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -67.02 -41.13 87.13 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.168 0.987 . . . . 75.019999999999996 110.78 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.02 -25.77 61.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.963 0.905 . . . . 60.200000000000003 111.577 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -67.65 -32.77 73.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.803 0.841 . . . . 73.140000000000001 111.06 175.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -85.65 -50.91 6.82 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.12 0.568 . . . . 70.239999999999995 110.941 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -74.53 -51.15 15.51 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.506 0.722 . . . . 75.049999999999997 112.244 -173.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.8 m -105.07 -9.08 18.06 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.245 0.618 . . . . 74.340000000000003 111.829 -172.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 72.46 -59.93 0.55 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.399 1.48 . . . . 74.400000000000006 110.732 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.35 141.02 33.18 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.564 0.746 . . . . 73.329999999999998 110.281 170.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.1 t -105.58 125.89 51.51 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.738 0.815 . . . . 74.219999999999999 109.228 176.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.8 m -69.92 -26.95 64.39 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.554 0.742 . . . . 72.540000000000006 111.884 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.451 ' HB2' ' HB2' ' A' ' 119' ' ' CYS . 74.1 m-85 -75.96 -33.93 59.81 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.141 0.576 . . . . 73.439999999999998 110.898 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.02 -107.84 2.07 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 123.502 0.501 . . . . 72.340000000000003 113.099 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -80.05 -16.58 54.78 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.177 0.591 . . . . 70.310000000000002 111.363 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -78.1 -14.9 59.31 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.076 0.55 . . . . 74.400000000000006 110.985 174.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.451 ' HB2' ' HB2' ' A' ' 115' ' ' TYR . 42.3 t -79.04 121.49 25.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.603 0.761 . . . . 75.049999999999997 109.473 176.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -94.85 27.64 3.03 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.549 0.74 . . . . 75.230000000000004 111.237 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 95.3 m-85 -130.87 145.3 51.96 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.053 0.941 . . . . 72.430000000000007 109.503 179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.484 ' HB1' HD23 ' A' ' 103' ' ' LEU . . . -67.06 131.09 45.12 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.029 0.932 . . . . 44.240000000000002 113.351 -167.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -97.67 47.81 1.02 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.452 1.101 . . . . 74.400000000000006 109.278 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 134.88 164.51 10.52 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 114.862 -1.063 . . . . 74.219999999999999 111.962 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.48 -23.83 26.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.01 0.524 . . . . 75.519999999999996 111.136 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -62.5 -25.55 68.08 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.824 0.85 . . . . 72.439999999999998 111.908 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.458 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . 16.4 mm-40 -107.74 -9.58 15.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.4 0.68 . . . . 65.340000000000003 112.234 176.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -75.75 110.86 10.53 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.876 -0.787 . . . . 62.140000000000001 108.876 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.458 ' NH1' ' HA ' ' A' ' 127' ' ' GLU . 10.0 mpt_? -102.78 174.84 5.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.204 1.002 . . . . 74.400000000000006 109.266 173.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 pp -88.26 146.49 38.13 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-N 115.543 -0.753 . . . . 72.400000000000006 109.661 171.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.51 178.84 4.02 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.609 2.206 . . . . 64.219999999999999 112.687 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.52 ' HG2' ' HB2' ' A' ' 98' ' ' ALA . 32.9 mmt -66.11 153.27 42.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.163 0.585 . . . . 74.219999999999999 111.558 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -65.41 139.7 97.43 Favored Pre-proline 0 CA--C 1.553 1.075 0 CA-C-N 115.492 -0.776 . . . . 61.219999999999999 109.66 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -45.93 116.83 1.58 Allowed 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 123.721 2.947 . . . . 75.109999999999999 114.388 -177.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -142.75 -62.64 0.42 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.668 0.787 . . . . 74.120000000000005 110.844 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -136.12 23.13 3.36 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 114.801 0.68 . . . . 74.239999999999995 114.801 -167.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.64 -76.38 0.59 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.074 -1.084 . . . . 72.209999999999994 108.074 174.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -169.42 143.84 2.92 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.749 1.22 . . . . 72.010000000000005 108.803 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -84.48 160.7 56.06 Favored Pre-proline 0 N--CA 1.481 1.098 0 N-CA-C 109.196 -0.668 . . . . 71.420000000000002 109.196 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.72 81.68 1.03 Allowed 'Trans proline' 0 C--N 1.382 2.328 0 C-N-CA 121.991 1.794 . . . . 61.240000000000002 111.47 176.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -68.06 135.84 52.86 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.561 -1.199 . . . . 72.040000000000006 110.363 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -62.12 -46.61 88.25 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.654 0.782 . . . . 74.120000000000005 111.574 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -93.61 75.5 4.37 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.658 0.742 . . . . 71.120000000000005 109.582 -174.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.4 p -127.79 -34.2 2.2 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 114.693 -1.139 . . . . 64.310000000000002 110.295 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 9.0 t -89.43 157.32 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 108.939 -0.763 . . . . 71.409999999999997 108.939 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 59.1 mt -69.31 155.75 39.9 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.048 0.539 . . . . 74.310000000000002 110.383 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 30.8 t -77.31 116.29 17.79 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.301 0.64 . . . . 74.209999999999994 110.481 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.07 -50.1 71.89 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.983 0.913 . . . . 73.540000000000006 110.689 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -60.84 -41.34 95.62 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.69 0.796 . . . . 75.099999999999994 110.831 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -67.27 -30.53 70.43 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.9 -0.591 . . . . 71.409999999999997 110.767 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.9 t -86.9 -28.99 22.47 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.523 0.729 . . . . 61.32 112.235 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.1 mtm -98.11 -53.21 3.44 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.988 0.515 . . . . 63.219999999999999 111.649 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 41.8 p -96.57 -0.9 48.03 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.065 0.546 . . . . 73.319999999999993 111.566 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 99.03 -44.53 1.69 Allowed Glycine 0 C--N 1.349 1.302 0 CA-C-N 116.559 -0.292 . . . . 73.319999999999993 112.65 174.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -128.45 149.86 50.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.577 0.751 . . . . 74.439999999999998 109.538 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 53.0 t -78.85 121.19 24.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.931 0.892 . . . . 65.409999999999997 110.096 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.632 ' HZ2' ' HB2' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -71.56 -21.75 61.84 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.137 0.575 . . . . 74.340000000000003 111.728 -177.877 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -71.83 -29.67 64.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.424 0.69 . . . . 72.109999999999999 111.013 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.53 -115.72 7.93 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 123.769 0.668 . . . . 72.319999999999993 113.199 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.9 t -83.57 -7.04 59.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.442 0.697 . . . . 74.239999999999995 111.507 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -98.23 12.26 35.23 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.7 0.8 . . . . 73.340000000000003 111.001 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.55 152.1 46.23 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.61 0.764 . . . . 52.329999999999998 112.52 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.08 2.79 13.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.033 0.933 . . . . 74.239999999999995 111.456 -176.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -129.53 151.45 50.14 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.817 0.847 . . . . 74.540000000000006 110.749 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 30.1 mt -64.29 124.27 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.231 1.012 . . . . 73.319999999999993 111.645 -173.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -86.24 95.83 9.74 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.394 0.678 . . . . 74.319999999999993 109.363 173.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -97.75 121.31 39.52 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.48 -0.563 . . . . 74.010000000000005 109.48 173.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.36 121.64 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 123.778 0.831 . . . . 72.239999999999995 109.325 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.85 119.69 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 123.903 0.881 . . . . 72.109999999999999 110.77 -174.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -76.9 -31.58 56.83 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.933 0.893 . . . . 74.549999999999997 110.901 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -88.57 -119.03 1.56 Allowed Glycine 0 C--N 1.349 1.278 0 N-CA-C 111.388 -0.685 . . . . 74.299999999999997 111.388 175.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -158.42 168.24 27.5 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.468 0.707 . . . . 64.109999999999999 109.805 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.259 0 C-N-CA 123.456 0.703 . . . . 62.200000000000003 109.462 -179.702 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 110.149 -0.315 . . . . 64.400000000000006 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -89.06 168.03 12.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.523 0.729 . . . . 73.010000000000005 110.32 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.37 68.23 9.61 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.58 0.705 . . . . 70.340000000000003 109.945 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -126.8 128.37 46.48 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.923 0.889 . . . . 74.530000000000001 110.016 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 60.32 27.91 17.5 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.259 1.423 . . . . 74.040000000000006 112.96 166.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.1 p -72.03 -26.5 62.22 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.194 0.998 . . . . 63.439999999999998 111.195 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.88 162.48 29.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.712 1.205 . . . . 73.319999999999993 108.745 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.44 156.61 38.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.215 0.606 . . . . 71.430000000000007 111.764 -177.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 51.5 t -91.09 119.68 31.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.685 1.194 . . . . 64.099999999999994 110.685 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.13 -43.6 98.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.525 0.73 . . . . 72.540000000000006 110.638 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.37 70.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.845 0.858 . . . . 73.109999999999999 112.052 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -73.05 -35.8 66.79 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.122 0.569 . . . . 75.239999999999995 110.588 176.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -81.17 -27.68 35.31 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 112.009 0.374 . . . . 71.140000000000001 112.009 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -90.91 -51.02 5.56 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.928 0.491 . . . . 75.239999999999995 111.024 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.0 m -113.12 -5.04 13.73 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.049 0.759 . . . . 64.129999999999995 113.049 -169.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 69.6 -71.35 0.12 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.063 1.345 . . . . 54.420000000000002 111.129 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.93 96.18 1.66 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.173 0.589 . . . . 75.230000000000004 110.324 176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 23.3 t -72.96 127.19 31.83 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.2 1.0 . . . . 64.5 110.054 177.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.7 t -64.69 -31.66 72.99 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.924 0.89 . . . . 74.099999999999994 112.109 -173.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -70.91 -35.31 72.23 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.025 0.53 . . . . 71.319999999999993 111.656 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.0 -109.09 2.34 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.286 0.366 . . . . 75.019999999999996 113.19 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.43 -28.63 59.43 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.641 0.777 . . . . 71.439999999999998 110.954 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -76.52 -2.35 31.87 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.486 0.715 . . . . 61.439999999999998 111.889 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 12.5 t -69.96 127.27 32.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.587 0.755 . . . . 55.130000000000003 110.733 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -88.12 11.35 16.47 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.779 0.832 . . . . 72.120000000000005 111.273 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -133.43 152.04 51.87 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.336 1.054 . . . . 74.439999999999998 109.984 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.56 137.4 37.14 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.52 1.128 . . . . 72.310000000000002 112.366 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -97.86 28.68 3.76 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.138 0.975 . . . . 70.049999999999997 109.972 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 167.56 162.08 18.54 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 115.572 -0.74 . . . . 72.230000000000004 111.336 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.41 -24.35 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.467 0.707 . . . . 74.049999999999997 110.945 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -64.19 -34.43 78.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.659 1.184 . . . . 73.420000000000002 111.109 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -93.07 2.85 56.55 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.718 -0.674 . . . . 63.32 112.28 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.1 mt -74.72 111.32 9.8 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.368 -0.604 . . . . 73.310000000000002 109.368 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -98.03 102.84 14.7 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.212 -1.032 . . . . 74.430000000000007 108.212 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.62 150.37 94.07 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 123.09 0.556 . . . . 74.349999999999994 110.686 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.89 99.63 0.33 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.024 1.816 . . . . 73.439999999999998 111.288 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -63.85 90.62 0.06 Allowed 'General case' 0 C--N 1.352 0.711 0 CA-C-N 115.631 -0.713 . . . . 64.109999999999999 110.317 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -81.12 153.89 72.19 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 124.444 1.098 . . . . 75.109999999999999 110.269 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.26 175.02 1.63 Allowed 'Trans proline' 0 C--N 1.379 2.159 0 C-N-CA 123.009 2.473 . . . . 74.439999999999998 113.573 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 64.52 77.64 0.31 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.797 1.239 . . . . 75.140000000000001 109.898 -176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.96 -75.65 0.48 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.413 -0.812 . . . . 73.209999999999994 113.15 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -127.45 139.82 52.57 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.569 -0.9 . . . . 72.439999999999998 108.569 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -83.94 84.63 7.52 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.76 -0.459 . . . . 73.109999999999999 109.76 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -99.71 113.31 64.96 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 123.573 0.749 . . . . 74.450000000000003 109.577 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -73.29 86.48 1.14 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.824 2.349 . . . . 62.340000000000003 111.28 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -77.01 147.76 36.61 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.647 -0.706 . . . . 72.430000000000007 109.851 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.521 ' HB2' ' HB2' ' A' ' 163' ' ' GLN . 14.0 p90 -56.51 -42.15 77.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.682 0.793 . . . . 65.329999999999998 111.961 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.17 15.09 21.86 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.214 -0.448 . . . . 65.540000000000006 111.513 -173.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 76.3 p -111.72 -25.77 9.33 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.94 0.496 . . . . 75.540000000000006 110.125 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.36 142.78 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.63 0.772 . . . . 72.340000000000003 109.835 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.0 mt -77.43 160.0 29.03 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.739 0.815 . . . . 75.239999999999995 111.548 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 54.1 t -82.77 115.6 21.76 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.225 1.01 . . . . 75.5 109.291 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.84 -53.64 55.54 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.825 0.85 . . . . 75.040000000000006 111.234 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.434 ' HE2' ' HE3' ' A' ' 157' ' ' LYS . 32.3 mmmt -59.16 -45.46 90.93 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.366 -0.834 . . . . 73.549999999999997 111.418 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.402 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 34.8 t80 -75.98 -29.23 58.14 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.997 -0.547 . . . . 71.349999999999994 110.859 -172.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 63.9 m -73.28 -32.67 64.79 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.798 0.439 . . . . 74.510000000000005 111.305 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.7 mtm -88.44 -52.76 5.01 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.84 0.456 . . . . 60.32 111.746 -174.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 61.5 p -98.22 -27.12 14.3 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.091 0.556 . . . . 72.200000000000003 111.876 -173.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 92.58 4.76 65.51 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 116.304 -0.407 . . . . 62.219999999999999 112.292 -171.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -136.23 138.83 42.25 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.125 0.97 . . . . 62.310000000000002 110.035 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 47.2 t -121.77 124.25 43.74 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.908 0.883 . . . . 71.540000000000006 109.684 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.434 ' HE3' ' HE2' ' A' ' 149' ' ' LYS . 18.3 ptpt -67.79 -24.65 65.33 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.772 0.829 . . . . 74.510000000000005 112.492 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -78.47 -24.61 45.88 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.174 0.59 . . . . 74.420000000000002 110.886 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.15 -124.63 30.51 Favored Glycine 0 C--N 1.351 1.361 0 O-C-N 123.558 0.536 . . . . 61.409999999999997 113.234 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.4 p -71.99 -20.74 61.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.401 0.68 . . . . 74.230000000000004 111.669 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -82.04 -1.49 48.6 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.477 0.711 . . . . 75.430000000000007 111.95 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.36 123.1 20.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.134 0.574 . . . . 75.0 110.309 175.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 142' ' ' TYR . 11.4 pt20 -77.08 -32.01 56.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.555 0.742 . . . . 75.239999999999995 111.502 -177.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -83.47 148.02 27.49 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.203 0.601 . . . . 73.409999999999997 111.238 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.63 118.09 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.716 1.206 . . . . 72.150000000000006 111.7 -174.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -76.07 92.27 3.18 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.733 0.778 . . . . 75.109999999999999 109.712 169.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -95.91 125.68 40.64 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.275 -1.329 . . . . 63.399999999999999 108.213 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 41.2 mm -65.38 136.37 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 108.909 -0.774 . . . . 74.439999999999998 108.909 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 84.4 t -54.42 118.06 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.956 0.902 . . . . 71.099999999999994 111.287 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.71 56.33 2.63 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.634 0.773 . . . . 73.25 110.055 -176.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -87.63 66.39 3.41 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 115.538 -0.756 . . . . 45.329999999999998 111.962 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -75.12 102.78 5.04 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.351 0.66 . . . . 74.109999999999999 109.883 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.087 0 C-N-CA 123.899 0.879 . . . . 62.340000000000003 110.239 178.14 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 111.731 0.271 . . . . 73.319999999999993 111.731 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -75.12 141.15 43.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.049 0.54 . . . . 70.120000000000005 110.599 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -99.27 13.38 33.3 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.038 0.935 . . . . 72.310000000000002 111.941 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -78.23 123.51 27.01 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.865 -0.791 . . . . 73.340000000000003 108.865 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.0 pttp 47.83 47.19 18.47 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 126.195 1.798 . . . . 72.5 113.104 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 131' ' ' PRO . 35.0 p -97.41 -10.7 24.97 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.478 -1.237 . . . . 73.25 111.072 175.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.17 145.02 51.79 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.785 1.234 . . . . 75.400000000000006 108.857 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.02 149.95 22.02 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.632 0.975 . . . . 74.230000000000004 113.632 -173.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . 36.3 t -84.91 113.68 21.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.586 -1.188 . . . . 75.140000000000001 108.998 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.3 -33.4 72.31 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.915 0.886 . . . . 64.219999999999999 110.838 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.5 76.12 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.428 0.691 . . . . 54.130000000000003 111.579 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 104' ' ' CYS . 77.6 t80 -72.55 -31.41 65.25 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.844 0.857 . . . . 72.450000000000003 111.019 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -77.78 -52.82 8.31 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.125 -0.489 . . . . 64.430000000000007 111.114 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -82.31 -49.99 9.44 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.124 0.569 . . . . 73.209999999999994 111.218 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 m -101.42 -20.72 15.03 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.306 0.643 . . . . 54.130000000000003 111.989 -172.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 61.25 27.54 17.23 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.539 1.135 . . . . 54.119999999999997 111.381 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.71 122.13 7.89 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.056 0.942 . . . . 75.340000000000003 109.176 -177.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 50.8 t -119.75 126.17 50.4 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.695 0.798 . . . . 62.210000000000001 109.213 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 m -74.84 -19.08 60.32 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.659 0.784 . . . . 74.519999999999996 111.98 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -83.1 -18.61 38.95 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.355 0.662 . . . . 71.530000000000001 111.595 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.57 -135.38 33.33 Favored Glycine 0 C--N 1.35 1.355 0 O-C-N 123.431 0.457 . . . . 52.039999999999999 113.143 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -70.4 -21.19 62.88 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.231 0.612 . . . . 75.439999999999998 111.299 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -81.02 5.68 15.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.392 0.677 . . . . 75.439999999999998 111.596 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.41 132.85 52.77 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.994 0.917 . . . . 74.030000000000001 110.879 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -83.96 9.06 13.21 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.391 0.677 . . . . 61.219999999999999 111.507 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -127.74 140.83 51.82 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.021 0.928 . . . . 72.400000000000006 109.693 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.0 133.2 47.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.846 1.258 . . . . 70.310000000000002 112.976 -171.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -95.04 46.0 1.11 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.753 0.821 . . . . 74.25 110.788 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.53 173.33 13.35 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 115.984 -0.553 . . . . 73.340000000000003 112.555 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.78 -25.07 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.267 0.627 . . . . 72.140000000000001 111.007 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -69.78 -26.78 64.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.545 0.738 . . . . 74.319999999999993 110.782 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -91.18 -12.13 36.29 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.377 0.671 . . . . 72.310000000000002 111.962 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.25 110.34 9.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.19 0.519 . . . . 64.109999999999999 110.371 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.94 149.33 41.77 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 107.388 -1.338 . . . . 75.299999999999997 107.388 169.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.51 143.74 55.8 Favored Pre-proline 0 CA--C 1.556 1.209 0 N-CA-C 110.354 -0.239 . . . . 75.239999999999995 110.354 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.409 ' HB3' HG22 ' A' ' 101' ' ' THR . 42.4 Cg_endo -91.36 21.87 0.75 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 123.727 2.951 . . . . 74.099999999999994 112.949 -176.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' A' ' 132' ' ' MET . 0.3 OUTLIER 60.76 47.37 8.03 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.742 1.217 . . . . 75.519999999999996 110.241 -176.595 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -65.96 151.8 94.6 Favored Pre-proline 0 CA--C 1.556 1.202 0 CA-C-N 113.708 -1.587 . . . . 73.519999999999996 110.768 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.19 142.63 45.01 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 123.638 2.892 . . . . 70.239999999999995 114.386 -175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -77.68 93.98 4.35 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.62 -0.881 . . . . 73.439999999999998 108.62 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -125.6 43.55 1.36 Allowed Glycine 0 C--N 1.34 0.761 0 N-CA-C 111.123 -0.791 . . . . 71.430000000000007 111.123 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -139.2 123.83 18.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.986 0.914 . . . . 71.409999999999997 109.469 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -91.81 155.75 18.01 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.397 0.679 . . . . 72.010000000000005 111.018 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 56.3 p-80 -109.26 160.96 25.66 Favored Pre-proline 0 N--CA 1.482 1.143 0 C-N-CA 123.833 0.853 . . . . 73.430000000000007 109.807 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.3 91.78 0.09 OUTLIER 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.568 2.179 . . . . 75.109999999999999 111.741 169.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -100.17 105.67 17.3 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.862 0.865 . . . . 61.299999999999997 109.669 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -135.74 -40.25 0.7 Allowed 'General case' 0 C--O 1.242 0.666 0 C-N-CA 123.927 0.891 . . . . 74.549999999999997 109.793 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -84.6 52.66 2.44 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 121.638 0.732 . . . . 71.230000000000004 109.465 171.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 41.2 p -118.55 -32.0 4.72 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.933 1.293 . . . . 65.530000000000001 108.782 175.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 45.4 t -85.31 141.87 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.858 0.863 . . . . 73.040000000000006 109.369 175.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 67.7 mt -76.19 155.53 34.45 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.776 0.43 . . . . 61.329999999999998 110.782 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 25.8 t -81.03 115.94 20.74 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.703 0.801 . . . . 74.519999999999996 110.634 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.35 -40.75 97.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.675 1.19 . . . . 74.219999999999999 110.738 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -61.94 -50.57 71.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.818 0.847 . . . . 61.210000000000001 110.863 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . 0.412 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 33.1 t80 -68.65 -27.72 66.25 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.939 0.896 . . . . 72.030000000000001 110.298 -176.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.484 ' HA ' HG21 ' A' ' 169' ' ' VAL . 46.8 t -71.92 -45.52 60.9 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.65 0.78 . . . . 74.430000000000007 111.387 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 56.4 mtm -81.31 -53.59 6.2 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.605 0.362 . . . . 72.450000000000003 111.917 -173.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.8 p -96.47 -0.78 48.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.984 -0.553 . . . . 75.420000000000002 111.887 -168.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 93.1 -44.58 2.49 Favored Glycine 0 C--N 1.349 1.267 0 N-CA-C 112.427 -0.269 . . . . 71.129999999999995 112.427 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -122.39 157.65 31.41 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.855 0.862 . . . . 74.109999999999999 110.119 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 42.9 t -100.98 122.74 44.05 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.986 0.915 . . . . 71.340000000000003 109.075 177.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -66.0 -25.3 67.02 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.252 0.621 . . . . 60.030000000000001 111.889 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -67.71 -34.22 76.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.595 0.758 . . . . 72.209999999999994 110.832 176.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 68.7 -127.68 22.99 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 123.701 0.625 . . . . 51.310000000000002 112.807 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 36.7 p -77.79 -4.8 48.27 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.035 0.534 . . . . 73.349999999999994 111.521 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -88.98 3.75 50.53 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.328 0.651 . . . . 71.030000000000001 110.976 172.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 41.9 t -81.19 143.73 32.13 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.411 0.684 . . . . 74.109999999999999 110.351 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -104.57 16.07 26.81 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.78 0.832 . . . . 70.349999999999994 110.965 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -126.98 150.65 49.3 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.102 0.961 . . . . 72.239999999999995 110.731 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.15 129.98 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.067 0.947 . . . . 73.530000000000001 111.403 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -104.27 94.81 5.55 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.927 0.891 . . . . 63.200000000000003 109.496 174.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -112.64 131.23 55.73 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 108.364 -0.976 . . . . 64.209999999999994 108.364 171.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 2.0 mp -67.55 112.14 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.514 0.726 . . . . 71.200000000000003 109.118 -174.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . 0.484 HG21 ' HA ' ' A' ' 151' ' ' SER . 60.1 t -64.88 131.98 30.69 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.435 1.094 . . . . 73.140000000000001 111.357 -171.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -139.11 -50.75 0.53 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.172 0.989 . . . . 73.319999999999993 109.391 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -76.5 76.11 1.55 Allowed Glycine 0 C--N 1.346 1.119 0 CA-C-N 115.637 -0.71 . . . . 73.129999999999995 112.253 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -75.67 -18.33 59.67 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.09 0.956 . . . . 73.340000000000003 111.945 -177.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 C-N-CA 124.184 0.994 . . . . 63.32 108.828 -179.87 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.408 ' HB3' ' SD ' ' A' ' 132' ' ' MET . 53.0 p . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.602 -0.518 . . . . 74.420000000000002 109.602 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -87.1 171.74 10.48 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.241 1.016 . . . . 62.020000000000003 110.602 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.84 -17.85 52.24 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.024 0.53 . . . . 71.239999999999995 110.712 168.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -74.2 132.44 42.18 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.153 0.981 . . . . 61.420000000000002 112.339 -176.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 129' ' ' ARG . 29.5 mmtp 65.36 17.92 11.15 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.345 1.858 . . . . 63.009999999999998 112.243 169.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 130' ' ' LEU . 34.0 p -70.86 -34.32 71.51 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.739 0.816 . . . . 43.0 112.194 -176.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -128.53 160.59 31.86 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.069 0.948 . . . . 63.340000000000003 109.293 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.1 152.48 42.32 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.181 0.515 . . . . 72.319999999999993 111.17 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.3 t -86.38 111.27 20.33 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.348 1.059 . . . . 70.129999999999995 109.647 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.86 -45.51 93.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.928 0.891 . . . . 73.120000000000005 110.17 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.83 74.6 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.323 1.015 . . . . 72.430000000000007 111.753 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.38 -62.52 1.55 Allowed 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.598 -0.728 . . . . 74.420000000000002 110.216 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.557 ' HZ2' ' HB2' ' A' ' 108' ' ' LYS . 10.1 mtmp? -64.51 -37.29 87.03 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.58 0.752 . . . . 74.129999999999995 113.011 -168.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -66.8 -33.93 76.69 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.067 0.547 . . . . 63.0 111.737 -175.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.3 p -113.43 -1.3 14.21 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.321 0.649 . . . . 72.200000000000003 111.901 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 67.76 19.2 9.7 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.271 1.428 . . . . 74.420000000000002 112.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.47 140.68 6.11 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.7 1.2 . . . . 65.519999999999996 109.256 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.83 126.75 52.22 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.33 -0.619 . . . . 71.439999999999998 109.33 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 p -65.28 -36.44 84.11 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.775 0.83 . . . . 74.150000000000006 111.616 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -71.62 -39.83 70.19 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.652 0.781 . . . . 74.329999999999998 110.823 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.86 -98.97 0.23 Allowed Glycine 0 C--N 1.348 1.218 0 CA-C-N 115.714 -0.675 . . . . 64.120000000000005 113.029 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -79.32 -22.73 44.14 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.366 0.667 . . . . 62.109999999999999 111.294 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -87.94 10.66 18.05 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.181 0.592 . . . . 74.409999999999997 111.445 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 47.6 t -85.52 134.67 34.02 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.085 0.554 . . . . 75.420000000000002 110.029 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -91.55 -2.77 57.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.65 0.78 . . . . 73.400000000000006 111.91 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -115.15 153.07 31.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.516 0.726 . . . . 75.340000000000003 110.361 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.77 141.18 46.28 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.967 0.907 . . . . 72.420000000000002 112.237 -174.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -101.86 29.53 4.93 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.96 0.904 . . . . 72.409999999999997 111.151 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.81 165.57 23.37 Favored Glycine 0 C--N 1.339 0.709 0 CA-C-N 115.617 -0.72 . . . . 62.140000000000001 111.495 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.98 -37.13 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.291 0.636 . . . . 74.430000000000007 109.827 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -66.96 -28.29 68.16 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 114.862 -1.063 . . . . 73.010000000000005 110.968 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 -13.65 47.08 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.855 1.262 . . . . 73.019999999999996 110.491 -174.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.15 123.9 19.78 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.839 0.856 . . . . 72.25 112.601 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.516 ' HB2' ' HB2' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -111.35 74.2 0.86 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 106.608 -1.627 . . . . 63.520000000000003 106.608 161.62 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 101' ' ' THR . 3.9 pp -73.98 153.69 88.81 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 115.645 -0.707 . . . . 61.210000000000001 110.819 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.71 145.69 58.22 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.13 1.887 . . . . 72.219999999999999 111.239 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.485 ' N ' ' SD ' ' A' ' 132' ' ' MET . 0.9 OUTLIER -79.11 75.41 5.64 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.614 0.721 . . . . 53.340000000000003 109.108 -176.675 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -133.85 111.7 12.35 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-N 114.804 -1.089 . . . . 71.049999999999997 108.981 -173.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.86 163.81 34.78 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.591 2.194 . . . . 63.549999999999997 111.47 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -72.95 91.39 1.54 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.384 0.612 . . . . 64.549999999999997 110.382 -175.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -130.35 150.22 19.14 Favored Glycine 0 C--N 1.34 0.786 0 CA-C-N 114.879 -1.055 . . . . 75.340000000000003 111.057 177.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -159.81 136.94 9.49 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.336 0.654 . . . . 74.319999999999993 109.496 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -77.54 77.8 4.06 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.241 -1.022 . . . . 42.130000000000003 108.241 169.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -77.19 144.71 71.79 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 114.771 -1.104 . . . . 71.109999999999999 110.559 -176.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.81 87.18 0.69 Allowed 'Trans proline' 0 C--N 1.376 2.021 0 C-N-CA 122.497 2.132 . . . . 75.140000000000001 112.202 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.559 ' HB3' HG21 ' A' ' 144' ' ' THR . 38.5 ttpt -98.38 154.65 17.69 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.331 1.053 . . . . 71.439999999999998 108.628 173.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -36.89 71.72 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.988 0.515 . . . . 73.549999999999997 111.704 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -105.77 66.31 0.73 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.584 0.707 . . . . 73.140000000000001 110.501 176.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.559 HG21 ' HB3' ' A' ' 141' ' ' LYS . 45.9 p -127.74 -3.15 5.96 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.122 0.969 . . . . 72.430000000000007 109.745 163.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 92.2 t -124.93 141.87 43.63 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.603 1.161 . . . . 63.219999999999999 108.885 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.0 mt -72.17 160.6 32.17 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.662 0.785 . . . . 74.420000000000002 111.148 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.43 115.0 11.17 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 123.634 0.774 . . . . 60.329999999999998 110.89 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.481 ' HB2' ' HE3' ' A' ' 152' ' ' MET . 8.1 p-10 -65.47 -32.38 73.96 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.986 0.914 . . . . 74.329999999999998 110.825 -177.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -71.72 -40.17 69.64 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.612 -0.722 . . . . 73.239999999999995 110.985 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -70.72 -30.58 67.16 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 116.271 -0.422 . . . . 74.519999999999996 110.942 -177.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.7 p -85.82 -51.73 6.21 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.403 0.681 . . . . 62.409999999999997 111.621 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.481 ' HE3' ' HB2' ' A' ' 148' ' ' ASP . 70.0 mtm -81.29 -52.65 7.08 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.72 0.408 . . . . 52.439999999999998 111.702 -173.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 82.7 p -96.6 -1.48 46.81 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.582 0.353 . . . . 63.020000000000003 111.525 -174.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 94.53 -43.02 2.37 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 116.258 -0.428 . . . . 52.240000000000002 113.88 169.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -128.11 161.6 28.86 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 117.098 0.449 . . . . 64.040000000000006 110.962 -175.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 49.5 t -121.05 121.95 39.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.411 1.085 . . . . 64.510000000000005 108.731 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -78.82 -28.44 44.43 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.25 0.62 . . . . 74.409999999999997 111.896 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -72.66 -41.78 65.04 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.087 0.555 . . . . 73.310000000000002 111.171 -175.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.79 -103.23 0.8 Allowed Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.732 -0.667 . . . . 64.439999999999998 112.495 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.9 t -73.69 -21.12 60.34 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.708 0.803 . . . . 74.510000000000005 111.273 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -88.23 -0.75 57.47 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.723 0.809 . . . . 73.120000000000005 111.457 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.47 141.81 37.97 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.273 0.629 . . . . 64.010000000000005 109.97 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 20.4 pm0 -97.71 -12.84 21.88 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.336 0.655 . . . . 73.010000000000005 111.517 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.56 150.96 20.54 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.912 0.885 . . . . 74.340000000000003 110.543 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.2 127.37 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.978 0.911 . . . . 64.340000000000003 111.279 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -93.04 94.65 8.99 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.331 -0.618 . . . . 74.530000000000001 109.331 170.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -107.89 129.85 55.06 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 108.384 -0.969 . . . . 72.209999999999994 108.384 173.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 41.6 mm -71.49 98.66 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 108.568 -0.901 . . . . 75.150000000000006 108.568 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.21 110.11 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.185 -0.672 . . . . 74.049999999999997 109.185 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -96.55 106.28 18.51 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.355 -0.98 . . . . 74.409999999999997 108.355 176.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 81.58 89.24 0.61 Allowed Glycine 0 C--N 1.344 1.008 0 O-C-N 123.544 0.527 . . . . 74.209999999999994 111.831 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -74.04 -41.29 62.01 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.354 0.661 . . . . 74.150000000000006 111.232 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 C-N-CA 123.298 0.639 . . . . 75.239999999999995 110.142 -178.552 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 110.501 -0.185 . . . . 71.310000000000002 110.501 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -80.6 162.78 24.08 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.813 0.845 . . . . 73.219999999999999 109.849 173.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.01 92.22 1.28 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.292 0.637 . . . . 63.439999999999998 111.185 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -125.04 110.65 14.44 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.845 0.858 . . . . 73.200000000000003 110.24 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 127' ' ' GLU . 72.2 mmtt 70.82 -9.29 0.84 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.489 1.515 . . . . 62.520000000000003 114.162 166.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.4 p -72.71 -10.84 60.26 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.872 0.869 . . . . 71.049999999999997 111.806 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.11 149.7 46.18 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.739 1.215 . . . . 71.040000000000006 108.642 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.473 HD21 ' HB1' ' A' ' 122' ' ' ALA . 82.0 mt -75.55 159.15 31.57 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.685 0.794 . . . . 63.210000000000001 111.492 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 38.0 t -81.81 122.7 28.04 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.568 -1.197 . . . . 72.239999999999995 109.841 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.81 -38.79 89.44 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.56 0.744 . . . . 62.109999999999999 111.652 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.69 83.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.896 0.878 . . . . 70.430000000000007 110.848 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -70.44 -40.67 73.64 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.694 0.798 . . . . 73.439999999999998 111.307 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' HZ2' ' HB3' ' A' ' 108' ' ' LYS . 8.5 mtpm? -71.21 -39.65 71.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.512 0.325 . . . . 60.140000000000001 111.71 -175.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -90.63 -51.12 5.55 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.047 0.539 . . . . 74.540000000000006 111.745 -174.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.0 m -111.65 -16.56 13.21 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.299 0.64 . . . . 74.439999999999998 112.359 -169.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 75.08 -46.88 0.6 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 126.189 1.796 . . . . 75.129999999999995 111.912 -173.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.23 112.86 7.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.445 0.698 . . . . 53.109999999999999 111.17 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 51.8 t -99.33 126.79 45.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.127 0.971 . . . . 64.299999999999997 109.437 176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.1 t -65.96 -38.71 89.27 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.856 0.862 . . . . 70.549999999999997 111.774 -176.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -73.56 -30.87 63.32 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.869 0.468 . . . . 74.230000000000004 111.019 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.63 -119.51 10.15 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 116.05 -0.523 . . . . 74.540000000000006 112.764 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.35 -7.45 58.36 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.017 0.527 . . . . 74.340000000000003 111.747 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -91.41 1.56 57.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.179 0.592 . . . . 74.519999999999996 110.9 173.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.6 t -74.34 122.82 23.51 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.107 0.963 . . . . 72.519999999999996 109.807 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -25.82 60.92 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.569 0.348 . . . . 73.519999999999996 111.58 -178.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.34 158.96 18.27 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.944 0.497 . . . . 70.219999999999999 111.208 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.473 ' HB1' HD21 ' A' ' 103' ' ' LEU . . . -77.7 138.17 38.91 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.287 1.035 . . . . 52.329999999999998 112.943 -168.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -105.46 43.87 1.08 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.732 0.813 . . . . 63.450000000000003 110.177 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.14 169.19 13.9 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 115.412 -0.813 . . . . 64.400000000000006 111.917 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.26 -23.87 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 123.255 0.622 . . . . 70.129999999999995 111.095 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -66.31 -31.43 72.23 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.623 0.769 . . . . 74.439999999999998 110.888 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 100' ' ' LYS . 49.7 mt-10 -92.39 -24.96 18.71 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.742 0.817 . . . . 63.310000000000002 111.075 174.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 43.0 tp -70.38 114.26 8.33 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.208 0.527 . . . . 74.129999999999995 110.898 -174.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -97.84 140.67 31.86 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 124.574 1.149 . . . . 71.25 108.828 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.78 137.24 54.43 Favored Pre-proline 0 CA--C 1.55 0.945 0 N-CA-C 109.727 -0.471 . . . . 74.030000000000001 109.727 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.83 124.42 14.93 Favored 'Trans proline' 0 C--N 1.374 1.913 0 C-N-CA 122.951 2.434 . . . . 73.349999999999994 111.772 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 24.5 mmt -78.57 110.5 13.73 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.034 0.534 . . . . 74.430000000000007 109.987 -177.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -146.02 155.97 51.19 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.836 0.854 . . . . 72.409999999999997 109.996 -176.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.86 117.77 4.61 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.486 2.124 . . . . 65.519999999999996 110.822 170.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -67.33 134.38 51.42 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.443 0.697 . . . . 60.240000000000002 110.656 -175.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -111.06 28.77 9.42 Favored Glycine 0 C--N 1.345 1.06 0 O-C-N 123.197 0.311 . . . . 63.32 113.391 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -103.48 139.65 38.55 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.415 0.686 . . . . 73.549999999999997 109.841 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -81.18 125.01 29.75 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.981 0.512 . . . . 75.510000000000005 110.164 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 -138.13 160.25 64.99 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.142 0.977 . . . . 74.439999999999998 108.915 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.48 84.22 0.21 Allowed 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.529 2.153 . . . . 73.219999999999999 112.131 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -81.56 78.66 8.28 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.87 0.868 . . . . 74.329999999999998 109.431 176.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -63.29 -49.71 72.95 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.638 -1.164 . . . . 73.310000000000002 110.145 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.547 ' HB3' HG12 ' A' ' 165' ' ' ILE . 32.8 mmtp -83.88 97.39 9.19 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.325 -0.991 . . . . 72.420000000000002 108.325 172.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 2.5 t -127.72 -48.68 1.38 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.355 0.662 . . . . 74.430000000000007 111.759 -174.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.39 140.94 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 109.008 -0.738 . . . . 74.439999999999998 109.008 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.84 152.39 44.61 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.329 0.651 . . . . 74.329999999999998 111.812 -177.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 15.0 t -84.66 115.43 22.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.84 0.856 . . . . 75.549999999999997 109.294 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.16 -48.43 81.61 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.112 0.965 . . . . 73.140000000000001 110.552 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -70.78 -40.88 72.33 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.108 -0.951 . . . . 73.409999999999997 111.45 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -69.56 -25.98 64.26 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 122.209 0.204 . . . . 74.230000000000004 110.858 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.8 p -86.78 -42.81 13.01 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.193 0.597 . . . . 71.140000000000001 111.693 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 59.8 mtm -85.15 -54.24 4.75 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.023 0.379 . . . . 63.229999999999997 112.023 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 62.7 p -96.26 -18.52 19.97 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.957 0.503 . . . . 62.520000000000003 110.7 -173.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 98.37 -23.7 35.06 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 115.94 -0.573 . . . . 61.520000000000003 113.035 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -124.87 132.24 53.34 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.099 0.559 . . . . 63.109999999999999 110.864 -171.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 35.4 t -110.98 122.84 48.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.488 1.115 . . . . 65.109999999999999 108.816 175.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.77 -30.72 69.38 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.781 0.832 . . . . 74.340000000000003 112.214 -174.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -73.19 -40.26 64.92 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.321 0.648 . . . . 74.239999999999995 110.768 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.04 -101.92 0.47 Allowed Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.584 -0.735 . . . . 41.439999999999998 112.706 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.7 p -81.29 -7.19 59.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.733 0.813 . . . . 72.319999999999993 111.918 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -96.3 -4.56 41.93 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.51 0.724 . . . . 72.310000000000002 111.132 173.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 53.1 t -79.49 117.22 20.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.196 0.598 . . . . 52.549999999999997 110.127 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.42 -18.12 60.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.321 0.648 . . . . 75.109999999999999 111.453 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -81.13 149.15 29.28 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.967 0.907 . . . . 73.230000000000004 111.854 -177.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.547 HG12 ' HB3' ' A' ' 143' ' ' LYS . 50.9 mt -64.86 112.71 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.49 1.116 . . . . 72.409999999999997 110.725 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -73.37 93.02 1.88 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.672 0.748 . . . . 64.349999999999994 109.562 170.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -121.2 135.69 55.1 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.086 -1.415 . . . . 75.409999999999997 110.299 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 45.3 mm -101.3 130.61 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 108.233 -1.025 . . . . 71.129999999999995 108.233 169.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.29 126.91 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.312 0.645 . . . . 64.219999999999999 110.516 -177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -65.21 120.07 12.04 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.869 0.867 . . . . 75.400000000000006 111.089 -175.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 132.45 -118.71 2.29 Favored Glycine 0 C--N 1.344 1.007 0 N-CA-C 110.879 -0.889 . . . . 75.439999999999998 110.879 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -123.3 101.86 7.6 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.928 0.891 . . . . 64.349999999999994 108.676 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 C-N-CA 123.813 0.845 . . . . 73.409999999999997 109.295 -176.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.474 -0.195 . . . . 75.010000000000005 110.474 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -57.1 135.16 56.34 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.157 0.983 . . . . 72.209999999999994 112.596 -169.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 77.98 -32.0 0.17 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 126.229 1.811 . . . . 62.100000000000001 113.287 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -86.45 94.87 9.51 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 109.159 -0.682 . . . . 75.019999999999996 109.159 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 128' ' ' LEU . 54.0 mtmt 69.55 9.0 7.05 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.538 1.535 . . . . 64.209999999999994 113.548 174.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -73.63 -16.33 61.23 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.947 0.499 . . . . 74.540000000000006 111.115 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.04 158.02 45.42 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.421 1.089 . . . . 71.420000000000002 108.958 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.3 mt -76.79 151.78 35.83 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.973 0.509 . . . . 74.349999999999994 111.072 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 25.2 t -77.45 122.11 24.75 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.245 1.018 . . . . 54.009999999999998 108.921 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.556 ' HA ' ' HZ1' ' A' ' 108' ' ' LYS . 28.2 t70 -65.4 -42.8 92.22 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.839 0.456 . . . . 54.229999999999997 110.816 -176.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.27 65.44 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.329 1.052 . . . . 42.439999999999998 112.039 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -68.25 -40.86 81.83 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.58 0.752 . . . . 73.519999999999996 110.557 176.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.556 ' HZ1' ' HA ' ' A' ' 105' ' ' ASP . 22.9 mtmm -73.4 -24.29 60.27 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 116.385 -0.37 . . . . 74.219999999999999 111.483 -176.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 30.9 mmt180 -89.86 -46.66 8.4 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.063 0.545 . . . . 61.439999999999998 111.01 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 t -107.19 -7.62 16.74 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.901 0.704 . . . . 75.219999999999999 112.901 -168.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 67.85 -71.76 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.631 1.172 . . . . 73.329999999999998 109.934 -171.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.01 101.62 5.32 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.235 0.614 . . . . 74.299999999999997 109.349 172.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 41.2 t -80.75 125.74 30.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.519 0.728 . . . . 73.439999999999998 109.546 177.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.7 t -64.68 -32.05 73.54 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.232 1.013 . . . . 64.400000000000006 112.193 -172.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.642 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 72.4 m-85 -63.32 -44.17 95.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.931 0.492 . . . . 75.439999999999998 111.262 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.32 -112.07 4.69 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 111.546 -0.622 . . . . 73.25 111.546 -172.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -80.44 -8.13 59.42 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.189 0.596 . . . . 75.510000000000005 111.712 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -76.56 -11.88 59.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.286 0.634 . . . . 75.25 111.442 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.642 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 63.9 m -72.62 131.35 42.32 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 123.004 0.521 . . . . 70.120000000000005 110.217 169.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -77.71 -31.51 52.35 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.235 -0.654 . . . . 75.420000000000002 109.235 168.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -79.74 159.63 26.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.998 0.919 . . . . 72.400000000000006 111.531 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.441 ' HB3' ' HB2' ' A' ' 127' ' ' GLU . . . -76.17 142.16 41.65 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.57 1.148 . . . . 62.25 112.049 -173.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -104.99 29.25 6.48 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.129 0.972 . . . . 75.409999999999997 109.796 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.43 148.95 9.78 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 115.568 -0.742 . . . . 64.420000000000002 111.566 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 67.3 t -66.42 -33.98 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.645 0.778 . . . . 64.030000000000001 110.547 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -65.65 -23.63 66.85 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.93 -0.577 . . . . 71.010000000000005 111.54 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 122' ' ' ALA . 35.3 mt-10 -87.96 -10.39 50.65 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.685 0.794 . . . . 74.450000000000003 111.801 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 100' ' ' LYS . 62.2 mt -64.47 114.2 4.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.079 0.552 . . . . 43.409999999999997 111.238 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -92.64 138.37 31.56 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.223 1.009 . . . . 73.519999999999996 110.084 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -84.55 155.53 62.38 Favored Pre-proline 0 CA--C 1.551 1.019 0 N-CA-C 109.087 -0.709 . . . . 71.150000000000006 109.087 169.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -57.68 99.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.604 2.203 . . . . 62.030000000000001 111.837 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 40.8 mtm -82.57 14.85 2.85 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.447 1.099 . . . . 61.420000000000002 111.604 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.04 160.89 43.98 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 125.083 1.353 . . . . 73.349999999999994 110.22 170.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.31 91.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.383 2.356 0 C-N-CA 122.319 2.013 . . . . 63.119999999999997 110.796 168.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -81.35 156.13 25.62 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.779 -1.101 . . . . 73.209999999999994 110.797 -167.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.43 89.76 0.14 Allowed Glycine 0 C--N 1.348 1.221 0 O-C-N 123.544 0.528 . . . . 73.310000000000002 112.439 176.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -99.33 118.58 36.3 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 108.795 -0.817 . . . . 75.040000000000006 108.795 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -81.44 167.97 18.82 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 123.021 0.528 . . . . 73.099999999999994 110.984 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -89.02 110.12 35.71 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 115.1 -0.955 . . . . 75.239999999999995 109.07 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -78.3 77.75 3.87 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.686 2.257 . . . . 51.539999999999999 111.835 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -82.47 88.11 6.62 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.812 0.845 . . . . 74.430000000000007 109.164 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -78.49 -66.34 0.87 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.847 0.459 . . . . 74.540000000000006 110.514 -173.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.494 ' HB3' HG12 ' A' ' 165' ' ' ILE . 5.8 mptp? -77.39 85.58 3.79 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.02 -0.733 . . . . 64.120000000000005 109.02 172.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 2.1 t -103.34 -49.24 3.77 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.745 0.818 . . . . 74.129999999999995 111.549 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 51.4 t -105.06 148.96 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.685 0.794 . . . . 70.340000000000003 109.039 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.35 155.08 38.35 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.179 0.592 . . . . 55.039999999999999 110.889 176.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 13.9 t -86.0 113.94 22.49 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.569 -0.9 . . . . 72.420000000000002 108.569 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.89 -46.6 74.41 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.485 0.714 . . . . 72.420000000000002 111.292 -173.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -62.26 -44.77 95.79 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.601 0.76 . . . . 63.140000000000001 111.022 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -70.66 -23.05 62.44 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.293 -0.412 . . . . 75.430000000000007 110.711 -175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 56.8 m -80.13 -50.21 10.62 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.692 0.397 . . . . 61.520000000000003 111.107 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.2 mtm -76.46 -51.27 12.1 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.262 0.625 . . . . 74.219999999999999 112.127 -170.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 59.8 p -97.03 -21.18 17.55 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.94 0.496 . . . . 73.409999999999997 110.855 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 89.09 1.79 78.74 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 116.174 -0.466 . . . . 72.299999999999997 112.596 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -133.43 129.59 37.51 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.927 0.891 . . . . 71.019999999999996 109.615 -173.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 50.8 t -104.41 122.7 46.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.632 0.773 . . . . 74.25 110.132 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.505 ' HZ2' ' HB2' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -71.33 -23.82 62.0 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.362 1.065 . . . . 72.329999999999998 112.656 -178.301 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -80.26 -40.75 26.34 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.103 0.561 . . . . 75.409999999999997 110.335 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.43 -102.86 0.79 Allowed Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.793 -0.64 . . . . 45.32 113.595 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.4 p -79.1 -22.79 44.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.883 0.873 . . . . 73.010000000000005 111.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -78.19 -12.38 59.99 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.546 0.738 . . . . 70.540000000000006 110.747 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 164' ' ' PHE . 35.1 t -73.34 118.55 16.42 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.583 0.753 . . . . 73.239999999999995 110.748 -176.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -86.33 3.03 45.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.646 0.778 . . . . 62.25 110.843 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' PHE . . . . . 0.456 ' HB2' ' SG ' ' A' ' 162' ' ' CYS . 81.3 m-85 -101.86 151.03 22.56 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.138 0.975 . . . . 63.340000000000003 111.519 -171.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.494 HG12 ' HB3' ' A' ' 143' ' ' LYS . 60.7 mt -67.15 112.79 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 124.847 1.259 . . . . 62.43 111.244 -176.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -87.36 95.65 10.08 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.328 0.651 . . . . 75.310000000000002 110.167 174.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -117.67 132.15 56.53 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.26 0.624 . . . . 74.450000000000003 109.756 172.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 64.5 mt -80.01 104.69 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.86 0.864 . . . . 63.149999999999999 109.483 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 47.7 t -73.55 115.49 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.67 0.788 . . . . 73.129999999999995 109.843 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.58 144.25 46.09 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.632 0.773 . . . . 70.420000000000002 111.192 -176.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 132.81 -78.08 0.37 Allowed Glycine 0 C--N 1.342 0.865 0 N-CA-C 110.394 -1.083 . . . . 55.329999999999998 110.394 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -74.65 -34.18 62.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.433 0.693 . . . . 60.310000000000002 109.479 172.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 N-CA-C 108.567 -0.901 . . . . 53.020000000000003 108.567 169.387 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 120' ' ' ARG . 67.3 m-85 . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 121.116 0.484 . . . . 72.11 111.746 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 127' ' ' GLU . 67.7 mmtt 68.98 10.94 8.19 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.065 1.746 . . . . 70.13 114.067 161.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 p -87.09 -6.88 58.53 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.463 0.705 . . . . 62.12 111.66 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.72 155.71 41.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.279 1.032 . . . . 71.43 109.391 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.21 158.0 33.66 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.687 0.795 . . . . 73.25 111.384 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 46.6 t -87.19 112.88 22.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.952 0.901 . . . . 74.13 110.886 -176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.42 -43.04 93.14 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.065 0.946 . . . . 74.4 111.333 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.4 87.3 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.821 0.849 . . . . 63.52 111.467 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.33 -36.59 66.23 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.006 0.522 . . . . 75.11 111.015 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -74.36 -45.05 49.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.714 0.406 . . . . 72.14 111.457 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -90.56 -50.48 5.91 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.301 0.64 . . . . 72.33 112.017 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.3 t -100.17 -16.22 17.87 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.196 0.599 . . . . 74.33 111.861 -173.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 75.14 -50.88 0.66 Allowed 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 125.75 1.62 . . . . 71.24 111.71 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.41 133.55 48.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.527 0.731 . . . . 71.05 110.655 173.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.5 t -118.95 128.86 54.8 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.193 -1.04 . . . . 53.14 108.193 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 m -60.71 -33.86 73.52 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.082 0.953 . . . . 64.34 112.891 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -92.78 -18.71 22.57 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.341 0.656 . . . . 70.23 111.683 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.77 -122.85 12.37 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-O 119.879 -0.4 . . . . 52.33 112.633 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.36 -11.94 59.98 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.501 0.721 . . . . 72.34 111.771 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -90.84 11.01 23.9 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.445 0.698 . . . . 71.23 111.292 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 38.6 t -68.45 125.75 27.45 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.036 0.934 . . . . 73.41 110.724 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 99' ' ' PHE . 38.8 ptt180 -68.68 -9.69 51.77 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.455 0.702 . . . . 72.11 111.653 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -104.21 159.94 15.28 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.361 0.664 . . . . 73.11 110.948 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.55 131.89 35.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.483 1.113 . . . . 64.31 111.677 -174.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -100.49 31.22 3.54 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.845 0.858 . . . . 73.2 110.705 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 166.77 168.8 29.5 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 111.699 -0.561 . . . . 64.24 111.699 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.12 -30.58 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.524 0.73 . . . . 71.22 110.831 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -71.23 -34.92 71.23 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.36 0.664 . . . . 74.33 110.251 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 100' ' ' LYS . 17.7 mm-40 -75.42 -24.89 57.17 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.263 -0.88 . . . . 74.01 110.753 174.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.7 tp -80.29 113.14 18.25 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.421 0.688 . . . . 71.11 110.789 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 107.45 -1.315 . . . . 74.42 107.45 168.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.6 t . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 108.61 -0.885 . . . . 43.23 108.61 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.466 HD23 ' HB ' ' A' ' 165' ' ' ILE . 83.5 mt -65.1 151.08 46.94 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.622 0.646 . . . . 73.25 111.867 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 9.8 t -87.98 113.1 23.29 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.636 0.774 . . . . 61.44 109.131 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -74.98 -37.75 61.83 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.197 0.599 . . . . 74.54 111.082 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -64.21 -42.0 96.8 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.488 0.715 . . . . 74.21 110.729 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -69.15 -24.22 64.06 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.507 -0.769 . . . . 71.52 110.705 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.8 t -85.17 -31.98 22.94 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.317 0.647 . . . . 75.1 111.614 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.2 mtm -90.24 -54.11 4.16 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.797 0.439 . . . . 74.24 111.598 -175.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 68.3 p -98.18 -10.08 24.69 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.203 0.601 . . . . 61.31 111.513 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 79.64 3.3 88.93 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 116.206 -0.452 . . . . 70.1 113.003 -176.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -137.68 134.95 36.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.329 0.651 . . . . 73.44 110.727 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 32.0 t -121.41 122.1 39.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.739 1.215 . . . . 65.43 108.107 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -70.14 -25.75 63.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.294 0.638 . . . . 73.34 112.593 -169.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -74.22 -35.97 63.92 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.212 0.605 . . . . 74.44 111.117 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.39 -109.07 2.71 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-N 115.833 -0.621 . . . . 71.53 112.434 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.9 p -74.14 -25.11 59.56 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.251 0.62 . . . . 72.41 111.137 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -72.94 -16.78 61.53 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.926 0.89 . . . . 72.33 111.624 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.11 125.91 25.43 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.651 0.781 . . . . 73.12 111.441 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -82.07 3.67 25.95 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.809 0.844 . . . . 74.31 111.183 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -117.95 147.17 43.42 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.154 0.982 . . . . 73.5 110.98 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.466 ' HB ' HD23 ' A' ' 146' ' ' LEU . 59.5 mt -71.76 117.35 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.795 1.238 . . . . 62.31 110.989 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -78.62 94.28 5.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.04 0.536 . . . . 70.11 109.679 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm . . . . . 0 C--O 1.24 0.56 0 CA-C-N 115.197 -0.911 . . . . 74.44 109.067 177.322 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.237 0.412 0 N-CA-C 108.44 -0.948 . . . . 73.0 108.44 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt 66.23 16.04 10.3 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.85 1.26 . . . . 75.43 111.525 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.4 p -80.68 -20.11 43.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.46 1.104 . . . . 72.32 110.271 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.51 165.41 24.94 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.62 1.168 . . . . 64.51 108.846 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.76 157.98 28.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.424 0.631 . . . . 74.15 111.356 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 42.6 t -81.0 116.32 20.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 124.529 1.132 . . . . 73.25 109.175 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.517 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 27.6 t70 -68.39 -35.16 77.27 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.07 0.948 . . . . 71.23 111.125 -174.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.05 -24.45 64.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.548 0.739 . . . . 51.13 111.438 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -86.04 -34.24 20.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.054 0.542 . . . . 75.05 110.979 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -84.86 -34.01 22.71 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 111.605 0.224 . . . . 73.13 111.605 -177.175 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -91.09 -50.8 5.65 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.685 0.394 . . . . 73.2 111.183 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.7 m -104.3 -3.59 24.02 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.125 0.57 . . . . 71.12 112.396 -170.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 69.38 -66.4 0.26 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 125.55 1.54 . . . . 51.55 112.245 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.59 113.34 6.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 122.865 0.466 . . . . 63.44 110.147 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 51.0 t -70.22 140.12 52.4 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.398 0.679 . . . . 52.14 110.749 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.5 m -65.22 -50.2 66.75 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.915 0.886 . . . . 51.22 111.763 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -83.79 -18.78 36.55 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.176 0.591 . . . . 72.45 111.155 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.08 -119.32 6.71 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.418 0.449 . . . . 71.12 112.204 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -76.81 -17.87 58.75 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.297 0.639 . . . . 74.33 111.184 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -83.15 6.7 18.35 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.583 0.753 . . . . 62.41 111.572 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 104' ' ' CYS . 44.8 t -67.72 133.39 49.2 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.731 0.813 . . . . 55.13 110.899 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -92.8 10.64 30.06 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.581 0.753 . . . . 72.41 111.632 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -132.36 146.02 51.67 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.402 0.681 . . . . 60.35 110.274 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.7 138.18 57.8 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.626 1.171 . . . . 60.53 113.338 -168.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -97.67 27.94 4.1 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.57 0.748 . . . . 74.25 110.468 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.54 -178.44 24.21 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 115.759 -0.655 . . . . 70.11 111.533 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.47 ' HA ' ' HB3' ' A' ' 128' ' ' LEU . 12.8 p -69.39 -22.36 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.449 0.7 . . . . 73.32 111.963 -175.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -62.94 -37.75 88.31 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.516 0.726 . . . . 61.44 111.498 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -94.9 -22.09 18.22 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.378 0.671 . . . . 53.54 111.191 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.47 ' HB3' ' HA ' ' A' ' 125' ' ' VAL . 48.9 tp -72.31 110.06 6.48 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.044 0.449 . . . . 72.1 111.381 -171.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.344 0 N-CA-C 106.6 -1.63 . . . . 62.51 106.6 165.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.511 -0.551 . . . . 65.34 109.511 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.07 135.82 51.39 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.879 0.472 . . . . 63.03 109.941 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 41.8 t -75.22 113.65 12.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.484 0.714 . . . . 54.54 109.973 -174.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.23 -37.12 85.98 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.84 0.856 . . . . 73.2 110.851 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -65.11 -44.21 89.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.378 -0.828 . . . . 73.55 110.725 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -76.16 -23.25 54.76 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 115.684 -0.689 . . . . 75.23 110.666 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.7 m -84.37 -39.66 18.81 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.105 0.562 . . . . 65.23 112.156 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 67.2 mtm -90.86 -53.4 4.41 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.967 0.507 . . . . 75.45 111.717 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 37.7 p -97.62 -18.82 18.68 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.556 0.342 . . . . 70.01 110.706 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 82.22 5.74 89.38 Favored Glycine 0 C--N 1.351 1.361 0 CA-C-N 116.1 -0.5 . . . . 33.14 113.357 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -137.62 133.59 34.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.861 0.865 . . . . 73.4 109.509 -174.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 36.6 t -119.12 127.41 53.33 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.266 1.026 . . . . 74.23 108.256 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -61.3 -32.8 72.65 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.653 0.781 . . . . 70.22 112.727 -171.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' TYR . . . . . 0.535 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 66.1 m-85 -83.29 -28.52 29.05 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.21 0.604 . . . . 64.44 110.823 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.44 -110.47 3.51 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.706 0.629 . . . . 60.35 112.361 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 76.8 p -71.31 -20.98 62.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.671 0.788 . . . . 73.13 111.328 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.535 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 84.6 mtt180 -82.48 -5.52 58.75 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.86 0.864 . . . . 65.3 111.851 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 53.5 t -66.97 130.29 42.65 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.553 0.741 . . . . 74.44 110.31 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -86.71 5.0 38.37 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.74 0.816 . . . . 73.4 111.336 -178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -111.86 149.74 31.39 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.011 0.924 . . . . 74.42 110.695 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.15 121.34 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.722 1.209 . . . . 74.34 111.531 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -94.31 94.92 8.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.008 0.523 . . . . 73.53 109.742 171.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 108.262 -1.014 . . . . 74.44 108.262 169.079 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 t80 . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 107.375 -1.343 . . . . 61.5 107.375 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.492 ' HD2' ' HB3' ' A' ' 127' ' ' GLU . 9.7 mtmp? 61.4 24.21 14.35 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.461 1.105 . . . . 73.22 111.7 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.6 p -77.4 -19.82 55.59 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.074 0.949 . . . . 74.1 110.473 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.17 167.1 22.83 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.838 1.255 . . . . 62.02 108.667 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.65 147.55 33.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.014 0.526 . . . . 74.15 110.587 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 29.0 t -63.08 128.35 35.45 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.476 1.11 . . . . 52.4 109.943 174.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.37 -47.97 82.11 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.657 0.783 . . . . 73.52 111.525 -174.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.14 -23.9 64.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.346 0.658 . . . . 75.44 111.722 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -76.49 -42.8 42.2 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.083 0.553 . . . . 74.13 110.71 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -77.65 -27.46 51.01 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 111.6 0.222 . . . . 71.34 111.6 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -93.19 -47.78 6.78 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.994 0.368 . . . . 74.55 111.994 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 t -113.69 -17.73 12.05 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.205 0.602 . . . . 65.13 112.264 -167.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.2 mp0 59.41 28.69 18.12 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.236 1.014 . . . . 70.35 110.93 -171.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -141.45 101.81 4.07 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.029 0.932 . . . . 65.13 109.457 -176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.8 t -113.23 126.95 55.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.406 1.083 . . . . 74.03 109.737 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.5 t -69.08 -34.01 74.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.025 0.93 . . . . 62.31 111.836 -175.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -74.4 -38.2 63.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.899 0.48 . . . . 64.12 110.944 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 63.68 -103.02 0.62 Allowed Glycine 0 C--N 1.347 1.155 0 O-C-N 123.715 0.635 . . . . 74.41 112.986 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.21 -29.75 65.53 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.559 0.744 . . . . 72.31 110.939 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -87.99 11.75 15.12 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.984 0.914 . . . . 74.4 111.954 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 36.7 t -77.59 127.56 32.69 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.716 0.807 . . . . 73.33 110.153 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -70.02 -26.1 63.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.075 0.55 . . . . 71.21 111.714 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -105.0 160.24 15.19 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.312 0.645 . . . . 74.0 111.457 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.91 139.63 48.86 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.413 -1.267 . . . . 71.22 113.381 -166.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -105.82 30.85 5.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.331 1.052 . . . . 74.05 109.979 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.0 163.14 26.28 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 116.097 -0.501 . . . . 65.4 112.659 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.14 -26.95 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 C-N-CA 123.912 0.885 . . . . 73.11 111.309 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -74.45 -26.84 60.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.941 0.896 . . . . 73.15 110.97 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.492 ' HB3' ' HD2' ' A' ' 100' ' ' LYS . 54.7 mt-10 -83.75 -19.69 34.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.71 0.804 . . . . 73.32 111.857 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.8 mt -66.47 115.7 6.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.312 0.645 . . . . 75.0 112.117 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 106.524 -1.658 . . . . 64.11 106.524 163.288 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 64.8 t . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 109.967 -0.382 . . . . 70.52 109.967 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 61.6 mt -72.23 159.95 33.23 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.769 0.828 . . . . 44.22 111.21 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 38.5 t -89.32 114.57 25.98 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.484 0.714 . . . . 65.52 109.922 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.35 -44.24 46.16 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.343 0.657 . . . . 74.15 110.469 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -55.47 -40.27 71.44 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.966 0.907 . . . . 71.01 112.075 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -69.78 -44.59 69.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.303 0.641 . . . . 70.12 110.432 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.4 m -69.19 -36.35 77.22 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.898 -0.592 . . . . 65.3 112.089 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 61.8 mtm -71.45 -48.85 46.81 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.158 0.429 . . . . 70.01 112.158 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 67.3 p -97.14 -43.51 7.35 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.747 0.419 . . . . 53.53 111.167 -170.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 134.56 -35.6 2.19 Favored Glycine 0 C--N 1.341 0.855 0 N-CA-C 111.233 -0.747 . . . . 73.15 111.233 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -136.09 142.5 44.32 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.08 0.952 . . . . 44.33 109.477 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 45.1 t -85.58 123.28 30.81 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.601 0.761 . . . . 73.0 109.795 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -64.11 -24.62 67.76 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.681 0.792 . . . . 75.14 112.212 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -73.97 -38.23 64.24 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.438 0.695 . . . . 75.2 110.282 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.11 -117.1 9.21 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-N 115.747 -0.661 . . . . 61.42 112.785 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 58.0 p -76.92 -11.14 59.77 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.153 0.581 . . . . 71.35 111.464 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -93.37 7.44 44.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.714 0.805 . . . . 75.31 111.289 174.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 52.3 t -83.5 125.63 31.95 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.335 0.654 . . . . 71.01 109.857 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -91.38 16.33 10.37 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.605 0.762 . . . . 65.51 111.185 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -124.53 148.61 47.66 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.708 0.803 . . . . 64.41 110.64 -175.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.74 120.63 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.506 1.122 . . . . 72.4 111.503 -175.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -83.59 95.07 8.22 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.725 -0.472 . . . . 75.24 109.725 173.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 109.069 -0.715 . . . . 63.13 109.069 171.948 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HB3' ' HG3' ' A' ' 100' ' ' LYS . 3.1 m-85 . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.336 0.589 . . . . 72.31 110.528 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.454 ' HG3' ' HB3' ' A' ' 99' ' ' PHE . 94.5 mttt 68.57 35.59 3.14 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 113.949 -1.478 . . . . 65.3 112.066 162.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.9 p -84.06 -5.34 59.22 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 115.206 -0.906 . . . . 64.11 111.387 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -144.29 155.99 44.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.542 1.137 . . . . 73.44 108.822 173.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.56 150.13 43.41 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.706 0.802 . . . . 75.24 112.7 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 40.5 t -80.8 122.47 27.21 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.292 -1.322 . . . . 73.05 109.374 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.433 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 31.3 t70 -65.19 -40.61 94.47 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.746 0.654 . . . . 53.35 110.226 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.3 -26.57 67.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.501 0.72 . . . . 54.44 111.992 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -77.33 -50.97 11.67 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.735 0.414 . . . . 61.33 110.31 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.433 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 14.0 ptmm? -76.41 -17.88 59.12 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.577 0.584 . . . . 75.33 112.577 -170.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -93.33 -39.99 10.65 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.946 0.498 . . . . 60.55 112.188 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.1 t -111.51 -9.04 14.22 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.095 0.776 . . . . 51.04 113.095 -168.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 65.86 -72.06 0.08 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 125.233 1.413 . . . . 73.14 110.284 -169.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.18 95.53 3.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.161 0.584 . . . . 75.33 109.778 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.454 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 41.4 t -76.81 125.01 28.56 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.9 -0.778 . . . . 63.11 108.9 175.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.4 p -70.09 -26.69 64.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.076 0.951 . . . . 64.45 112.39 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.633 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 26.1 m-85 -67.94 -44.56 76.53 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.085 0.954 . . . . 64.04 110.19 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.62 -111.6 4.26 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 115.774 -0.648 . . . . 73.01 112.912 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.05 -10.28 59.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.449 0.699 . . . . 64.22 111.414 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -79.45 -6.02 56.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.359 0.663 . . . . 65.43 111.476 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 48.5 m -75.17 132.88 41.47 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.442 0.639 . . . . 72.2 111.394 174.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.408 ' H ' ' HD3' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -101.82 5.75 41.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.72 1.208 . . . . 65.34 108.975 170.805 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -116.74 158.76 23.33 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.044 1.338 . . . . 74.33 109.027 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.17 134.68 34.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.119 0.968 . . . . 72.2 113.438 -164.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -95.24 32.3 1.76 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.509 0.723 . . . . 71.35 111.006 173.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 153.17 177.11 26.39 Favored Glycine 0 C--N 1.343 0.939 0 CA-C-N 116.46 -0.337 . . . . 64.21 112.431 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.428 ' HA ' HD12 ' A' ' 128' ' ' LEU . 12.6 p -69.14 -27.69 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.644 0.778 . . . . 60.34 111.256 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -70.7 -30.6 67.2 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.776 0.831 . . . . 74.05 110.702 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -81.93 -24.41 35.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.561 0.744 . . . . 61.34 111.025 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 125' ' ' VAL . 26.5 mt -65.92 119.94 12.2 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.413 0.685 . . . . 74.5 112.315 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 108.463 -0.94 . . . . 75.03 108.463 166.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 108.862 -0.792 . . . . 62.44 108.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.13 157.58 36.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.146 0.578 . . . . 62.21 111.331 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' CYS . . . . . 0.423 ' HG ' ' HG ' ' A' ' 162' ' ' CYS . 28.1 t -82.12 116.71 21.82 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.606 0.762 . . . . 60.31 110.108 -175.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.97 -47.72 82.13 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.208 1.003 . . . . 71.01 110.813 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -58.08 -48.6 79.66 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.254 -0.884 . . . . 75.41 110.835 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.405 ' HB3' ' HB3' ' A' ' 147' ' ' CYS . 37.7 t80 -74.5 -25.25 59.24 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 115.1 -0.955 . . . . 74.33 111.247 -172.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.9 p -87.2 -35.88 18.31 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.749 0.42 . . . . 52.54 111.641 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 66.4 mtm -82.63 -49.03 10.27 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.839 0.456 . . . . 63.1 111.765 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.1 p -97.23 -38.37 9.72 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.016 0.436 . . . . 74.21 110.268 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 115.47 -15.21 17.66 Favored Glycine 0 C--N 1.348 1.233 0 CA-C-N 115.673 -0.694 . . . . 65.32 112.516 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -133.73 146.56 50.89 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.878 0.871 . . . . 64.31 109.477 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 50.4 t -120.45 121.4 38.42 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.892 0.877 . . . . 64.33 109.182 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -70.51 -17.06 62.95 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.774 0.829 . . . . 74.21 111.927 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -73.45 -20.86 60.6 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.294 1.038 . . . . 61.32 111.085 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.26 -131.42 41.91 Favored Glycine 0 C--N 1.353 1.503 0 O-C-N 123.998 0.811 . . . . 55.34 113.575 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 71.1 p -71.34 -22.8 61.86 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.963 0.905 . . . . 73.15 111.99 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -92.35 9.73 32.84 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.363 0.665 . . . . 73.22 112.071 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' CYS . . . . . 0.423 ' HG ' ' HG ' ' A' ' 147' ' ' CYS . 42.4 t -65.33 128.6 36.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.795 0.838 . . . . 75.21 111.058 174.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -83.7 3.8 31.49 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.124 0.97 . . . . 55.55 112.196 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.85 149.14 40.52 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.073 0.949 . . . . 72.34 109.687 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.422 HG22 ' HG3' ' A' ' 167' ' ' LYS . 31.9 mt -71.54 128.08 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.807 0.843 . . . . 64.43 110.918 -176.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -90.84 95.0 9.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.366 0.667 . . . . 70.2 110.078 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.422 ' HG3' HG22 ' A' ' 165' ' ' ILE . 68.2 mttm . . . . . 0 N--CA 1.477 0.877 0 C-N-CA 123.692 0.797 . . . . 73.15 109.314 171.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.9 t80 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 108.78 -0.822 . . . . 74.22 108.78 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.412 ' HG3' ' HG2' ' A' ' 129' ' ' ARG . 17.0 ptpt 56.67 21.1 5.54 Favored 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 127.021 2.128 . . . . 74.25 113.451 176.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.2 p -89.4 -3.26 58.5 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.688 0.795 . . . . 74.54 112.08 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.12 159.39 40.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.063 0.945 . . . . 70.41 109.256 173.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.67 135.79 34.93 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.917 0.487 . . . . 71.02 110.898 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.39 112.83 6.19 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.435 1.094 . . . . 73.01 110.304 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.6 -39.47 91.34 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.733 0.813 . . . . 72.11 110.805 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.62 79.3 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.908 0.883 . . . . 72.25 111.753 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -68.36 -40.93 81.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.012 0.525 . . . . 75.25 110.391 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -75.54 -28.97 59.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.157 -0.474 . . . . 70.4 111.99 -174.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -93.22 -43.6 8.75 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.99 0.516 . . . . 65.42 112.013 -177.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.1 t -113.48 -5.48 13.48 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.515 0.726 . . . . 54.23 112.591 -166.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 71.6 -62.04 0.47 Allowed 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.181 1.392 . . . . 72.5 110.189 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.68 142.64 48.25 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.484 0.714 . . . . 72.11 111.083 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.2 t -107.63 130.84 54.87 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.481 1.112 . . . . 72.32 108.406 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.0 m -66.58 -31.79 72.72 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.124 0.57 . . . . 53.24 111.467 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.55 -33.45 31.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.274 0.63 . . . . 70.52 110.892 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.33 -109.26 2.8 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.744 0.653 . . . . 52.13 112.661 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -79.02 -19.54 51.26 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.255 0.622 . . . . 75.41 111.663 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -90.77 12.32 19.59 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.368 0.667 . . . . 74.32 111.408 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 42.2 t -77.62 124.61 28.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.45 0.7 . . . . 72.15 109.375 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.428 ' HD2' ' H ' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -87.41 14.91 7.19 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.034 0.533 . . . . 71.15 111.601 -178.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -128.51 144.98 51.24 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.076 0.95 . . . . 72.24 109.476 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.12 141.36 54.69 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.454 1.102 . . . . 53.12 112.611 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -97.69 39.68 1.2 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.844 0.857 . . . . 62.55 110.451 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 150.86 165.47 12.81 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.238 -0.892 . . . . 72.02 111.779 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.5 p -68.28 -22.15 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.671 0.788 . . . . 61.12 110.903 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -71.31 -39.65 71.29 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.021 0.928 . . . . 73.03 110.661 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -84.13 -18.41 36.88 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.839 0.856 . . . . 74.24 110.329 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.8 tp -67.22 129.63 40.5 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.655 0.782 . . . . 34.45 111.297 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.412 ' HG2' ' HG3' ' A' ' 100' ' ' LYS . 34.3 mmt-85 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 107.049 -1.463 . . . . 61.24 107.049 169.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 109.418 -0.586 . . . . 51.51 109.418 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 97.4 mt -80.39 149.53 30.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.423 0.689 . . . . 75.23 110.676 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' CYS . . . . . 0.419 ' SG ' ' SG ' ' A' ' 162' ' ' CYS . 40.9 t -72.79 117.16 14.15 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.943 0.897 . . . . 41.24 110.352 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.05 -52.48 65.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.151 0.981 . . . . 71.25 110.847 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -58.03 -31.8 67.36 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.77 0.828 . . . . 73.23 111.688 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -79.5 -46.69 16.93 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.175 0.59 . . . . 51.02 110.596 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.1 p -73.92 -32.5 63.56 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.162 0.585 . . . . 52.35 112.304 -171.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.5 mtm -77.33 -40.97 42.27 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.995 0.518 . . . . 61.05 111.966 -176.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 65.2 p -105.71 -42.82 5.07 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.547 0.339 . . . . 73.42 111.835 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 137.55 -34.54 2.16 Favored Glycine 0 C--N 1.345 1.032 0 CA-C-N 116.241 -0.436 . . . . 61.31 112.21 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -135.83 149.39 49.04 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.737 0.815 . . . . 53.1 110.461 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.7 t -122.11 121.85 37.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.515 1.126 . . . . 41.3 109.09 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -67.92 -18.17 64.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.803 0.841 . . . . 75.23 112.771 -173.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -68.01 -37.35 81.31 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.801 0.841 . . . . 64.12 111.205 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.38 -116.2 8.51 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.518 0.511 . . . . 34.33 113.402 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.4 t -77.58 -14.3 59.69 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.413 0.685 . . . . 63.04 111.205 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -87.58 0.17 56.0 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.661 0.784 . . . . 74.31 111.25 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' CYS . . . . . 0.419 ' SG ' ' SG ' ' A' ' 147' ' ' CYS . 21.6 t -75.68 134.25 40.6 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 122.791 0.436 . . . . 72.43 110.928 -177.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -74.02 -26.07 60.22 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.999 0.92 . . . . 62.42 112.408 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -121.8 151.34 40.7 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.483 0.713 . . . . 64.5 111.115 -175.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.42 136.34 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.691 1.196 . . . . 64.44 112.627 -168.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -95.6 94.83 7.98 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.547 0.739 . . . . 53.3 110.065 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 107.694 -1.224 . . . . 70.11 107.694 169.2 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 CA--C 1.541 0.632 0 N-CA-C 109.837 -0.431 . . . . 61.23 109.837 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt 50.18 62.26 2.76 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 126.456 1.903 . . . . 63.52 113.733 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.0 p -82.63 -10.29 59.01 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.285 -1.325 . . . . 71.22 112.039 176.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.33 166.36 26.53 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.943 0.897 . . . . 54.43 109.712 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.2 mt -75.79 148.44 38.46 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.284 0.564 . . . . 64.53 110.829 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.2 t -75.09 112.95 11.87 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.771 1.228 . . . . 33.01 110.033 -175.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.24 -34.76 78.36 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.796 0.838 . . . . 72.05 111.642 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.87 89.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.339 0.656 . . . . 64.3 110.39 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -73.89 -33.99 64.23 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.887 -1.052 . . . . 72.21 111.346 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -76.05 -31.03 58.62 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.145 -0.347 . . . . 62.05 111.591 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -85.39 -50.43 7.31 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.798 0.439 . . . . 74.52 110.904 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.2 m -97.22 -4.78 38.36 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.684 0.624 . . . . 75.22 112.684 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 68.98 9.75 7.57 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.685 1.194 . . . . 75.31 112.254 -176.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.12 144.5 9.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.307 1.043 . . . . 71.04 109.549 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 19.2 t -121.09 129.46 53.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.103 0.961 . . . . 60.23 109.677 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.6 p -74.46 -21.86 59.39 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.034 0.934 . . . . 75.3 112.126 -176.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -70.94 -26.39 63.16 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.629 0.771 . . . . 62.41 111.099 -176.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.34 -128.39 33.21 Favored Glycine 0 C--N 1.355 1.624 0 O-C-N 123.5 0.5 . . . . 74.35 113.209 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -77.4 -15.14 59.51 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.023 0.529 . . . . 62.1 111.559 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -82.57 -0.59 47.58 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.239 0.616 . . . . 45.02 111.023 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.98 127.27 32.05 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.3 0.64 . . . . 62.02 110.106 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -80.0 3.82 18.95 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.374 0.67 . . . . 74.12 112.032 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -130.88 152.65 49.98 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.867 0.867 . . . . 72.35 110.31 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 127' ' ' GLU . . . -77.78 139.82 39.38 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.543 1.137 . . . . 55.32 112.825 -167.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -98.88 28.51 4.29 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.779 0.832 . . . . 74.5 110.261 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.24 149.94 7.16 Favored Glycine 0 C--N 1.339 0.704 0 N-CA-C 110.974 -0.85 . . . . 74.14 110.974 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.86 -24.75 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.56 0.744 . . . . 74.14 111.242 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -68.37 -32.16 72.05 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.093 0.957 . . . . 75.41 111.294 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.457 ' HB2' ' HB1' ' A' ' 122' ' ' ALA . 43.7 mt-10 -83.9 -9.01 59.04 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.08 0.552 . . . . 71.11 112.397 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.23 111.64 2.06 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.132 0.491 . . . . 54.41 111.845 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 106.638 -1.615 . . . . 73.4 106.638 173.285 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 108.58 -0.896 . . . . 72.54 108.58 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.99 139.83 58.38 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.905 0.482 . . . . 71.13 110.387 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.4 t -72.84 111.47 8.0 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.179 -0.674 . . . . 71.13 109.179 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -72.8 -40.33 65.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.549 0.531 . . . . 63.05 111.342 -172.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.91 -42.2 99.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.04 0.536 . . . . 72.42 110.812 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.95 -26.22 64.02 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.405 -0.816 . . . . 71.2 111.426 -176.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 60.0 p -87.09 -35.49 18.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.749 0.42 . . . . 45.04 111.572 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 74.3 mtm -76.91 -43.79 34.2 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.877 0.471 . . . . 73.31 111.622 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 44.6 p -104.81 -29.3 10.62 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.98 0.512 . . . . 35.24 111.261 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 94.97 4.21 61.62 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.873 -0.603 . . . . 53.45 112.066 -171.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -136.7 139.74 42.17 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.97 0.908 . . . . 74.41 110.103 -173.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 51.7 t -122.23 125.16 45.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.104 0.962 . . . . 74.21 108.975 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -24.94 65.77 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.397 0.679 . . . . 73.41 112.385 -173.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -80.53 -31.13 37.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.166 0.586 . . . . 74.4 110.751 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.14 -112.88 5.37 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.654 0.596 . . . . 53.23 112.286 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.1 p -76.4 -16.23 59.76 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.357 0.663 . . . . 72.04 111.352 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.57 12.51 18.58 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.193 0.997 . . . . 64.41 111.252 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.9 t -85.12 126.91 34.0 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.241 0.616 . . . . 73.54 111.251 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -78.08 -29.1 48.92 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.641 0.776 . . . . 63.54 110.536 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -79.92 143.56 34.13 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.048 0.539 . . . . 75.34 111.043 -176.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 22.4 mt -70.19 109.11 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.637 1.175 . . . . 74.14 111.43 -169.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -73.6 107.67 6.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.043 0.537 . . . . 74.12 110.796 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--O 1.239 0.512 0 C-N-CA 123.948 0.899 . . . . 61.14 108.828 174.76 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.567 0.222 . . . . 72.24 111.11 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HB3' ' A' ' 127' ' ' GLU . 15.8 ptpt 41.05 55.63 3.14 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.962 2.105 . . . . 72.32 115.573 167.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.4 p -83.37 -14.18 53.34 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.081 -0.963 . . . . 72.2 109.715 163.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.64 158.25 36.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.539 1.136 . . . . 65.42 110.223 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.57 158.5 32.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.891 0.876 . . . . 73.35 112.08 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 40.1 t -89.4 117.09 28.07 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.878 1.271 . . . . 71.2 110.257 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.95 -34.78 75.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.978 0.511 . . . . 52.23 110.818 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.31 -32.79 72.65 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.451 0.7 . . . . 71.15 111.326 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -74.38 -43.57 55.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.828 0.851 . . . . 63.01 110.456 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -73.67 -24.75 60.01 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.966 0.506 . . . . 63.41 111.96 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -93.39 -51.1 5.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.232 0.613 . . . . 64.42 112.256 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.6 t -113.22 5.17 16.85 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.93 0.715 . . . . 74.52 112.93 -166.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 65.0 -79.5 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.373 1.069 . . . . 74.34 111.322 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.5 95.74 1.43 Allowed 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.516 0.726 . . . . 51.23 110.594 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 23.7 t -78.83 128.03 32.82 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.973 0.909 . . . . 72.4 109.135 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.5 m -57.02 -37.96 72.46 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.862 1.265 . . . . 73.24 114.221 -164.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -80.42 -29.53 37.65 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.052 0.541 . . . . 54.34 112.021 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.87 -103.17 0.79 Allowed Glycine 0 C--N 1.349 1.299 0 O-C-N 123.475 0.484 . . . . 73.45 112.967 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -75.27 -31.46 60.75 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.249 0.62 . . . . 74.12 110.677 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -84.77 7.31 21.1 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.555 0.742 . . . . 71.42 111.707 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.9 t -69.01 130.45 42.81 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.022 0.529 . . . . 64.21 110.112 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -64.64 -32.41 74.07 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 63.23 112.082 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -101.74 159.53 15.25 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.609 0.764 . . . . 73.04 110.948 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' ' 100' ' ' LYS . . . -79.86 137.84 37.03 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.174 0.99 . . . . 55.33 112.539 -170.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -102.03 28.21 5.96 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.436 0.694 . . . . 75.32 109.977 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 172.99 162.52 25.22 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 116.323 -0.399 . . . . 75.41 112.76 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.2 p -63.67 -27.22 42.47 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 C-N-CA 124.329 1.052 . . . . 63.21 111.269 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -70.37 -33.63 71.65 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.309 1.044 . . . . 72.11 111.375 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.576 ' HB3' ' HD3' ' A' ' 100' ' ' LYS . 35.7 mt-10 -86.12 -1.42 57.38 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.099 0.56 . . . . 63.41 112.018 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.93 115.03 18.35 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.755 0.422 . . . . 71.33 111.31 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 108.626 -0.879 . . . . 73.01 108.626 171.009 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--O 1.24 0.588 0 N-CA-C 109.054 -0.721 . . . . 74.34 109.054 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 167' ' ' LYS . 76.0 mt -74.16 152.51 39.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.466 0.706 . . . . 62.53 109.766 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 20.0 t -75.7 113.81 13.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.307 0.643 . . . . 74.34 110.095 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.1 -50.89 68.73 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.933 0.893 . . . . 74.54 110.76 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -55.15 -45.19 75.66 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.949 0.899 . . . . 72.35 111.472 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -67.06 -27.74 67.63 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.1 -0.954 . . . . 65.01 111.208 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 38.7 m -88.63 -28.33 20.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.448 0.699 . . . . 70.42 112.468 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.0 mtm -86.71 -52.18 5.67 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.124 0.57 . . . . 73.14 111.421 -174.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.7 p -95.26 -31.99 13.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.276 0.63 . . . . 75.21 110.232 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 116.12 -20.84 12.52 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.547 -0.751 . . . . 33.32 112.114 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.69 150.88 52.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.573 0.749 . . . . 71.22 110.188 -177.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 39.0 t -118.54 119.61 35.03 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.185 -1.043 . . . . 53.3 108.185 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -75.59 -21.08 58.13 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.047 0.539 . . . . 74.02 111.927 -172.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 9.2 m-85 -66.65 -39.34 88.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.598 0.759 . . . . 62.32 110.516 176.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.23 -112.54 5.08 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 123.625 0.578 . . . . 53.34 112.569 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.5 p -68.97 -29.43 67.64 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.765 0.826 . . . . 72.33 110.982 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 -7.91 55.63 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.05 0.94 . . . . 74.33 111.463 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 46.6 t -77.27 124.41 27.81 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 108.897 -0.779 . . . . 70.01 108.897 172.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -85.25 -13.77 48.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.809 0.844 . . . . 65.24 111.481 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -88.81 149.96 23.15 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.899 0.88 . . . . 71.43 111.024 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 35.5 mt -62.31 111.65 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.163 0.985 . . . . 75.41 110.606 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -74.31 91.26 2.17 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.569 0.699 . . . . 74.42 109.195 170.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.466 ' HB2' HD22 ' A' ' 146' ' ' LEU . 27.6 tptp . . . . . 0 C--O 1.237 0.431 0 N-CA-C 107.034 -1.469 . . . . 64.25 107.034 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.264 -0.273 . . . . 72.24 110.264 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.611 ' HG3' ' HD3' ' A' ' 129' ' ' ARG . 0.4 OUTLIER 46.1 32.43 1.41 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 126.622 1.969 . . . . 65.51 114.913 170.41 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.5 p -82.71 -18.42 40.93 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.405 -0.816 . . . . 62.11 110.009 170.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -123.93 156.75 35.76 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.896 1.279 . . . . 73.2 108.828 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -74.66 157.4 35.4 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.365 0.666 . . . . 62.53 111.854 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.2 t -79.32 121.1 24.69 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 124.196 0.998 . . . . 64.24 109.709 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.441 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 40.4 m-20 -66.14 -30.38 70.85 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.137 0.575 . . . . 62.24 111.424 -178.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.02 68.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.141 0.577 . . . . 72.4 111.127 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 73.4 t80 -81.42 -30.91 33.4 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.104 0.562 . . . . 71.34 111.3 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 17.5 ptpt -84.44 -38.06 20.64 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 122.319 -0.238 . . . . 74.23 111.084 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -90.52 -51.08 5.58 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.735 0.414 . . . . 74.41 111.162 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.5 t -99.01 -21.8 16.05 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.433 0.693 . . . . 74.31 111.651 -173.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 95.4 mt-30 74.84 -53.64 0.67 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.675 1.59 . . . . 75.03 111.328 -172.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.73 123.68 23.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.362 0.665 . . . . 74.23 110.403 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -109.2 126.35 53.19 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.221 1.008 . . . . 74.12 109.538 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.0 m -69.1 -31.04 69.48 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.637 0.775 . . . . 75.14 112.036 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -68.47 -32.0 71.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.051 0.54 . . . . 75.12 111.061 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.79 -120.23 12.27 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 123.633 0.583 . . . . 71.31 112.695 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -77.66 -18.51 56.62 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.61 0.764 . . . . 64.51 111.403 178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -82.49 1.24 38.65 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.482 0.713 . . . . 74.22 111.785 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 37.9 t -67.36 117.25 9.09 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 122.997 0.519 . . . . 61.01 110.457 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -66.8 -34.61 78.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.549 0.74 . . . . 70.41 110.279 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -80.37 161.44 25.0 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.203 1.001 . . . . 74.55 111.873 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.24 128.12 32.91 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.108 0.963 . . . . 51.11 112.941 -170.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -97.42 68.95 2.2 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.626 0.77 . . . . 64.4 109.311 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.71 162.49 11.64 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-N 115.722 -0.672 . . . . 63.23 112.096 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.2 p -70.08 -24.57 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.304 0.642 . . . . 75.23 111.309 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -69.92 -31.22 68.87 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.305 0.642 . . . . 73.23 110.778 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -77.7 -15.4 59.18 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.83 0.852 . . . . 72.33 112.171 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 mt -67.18 116.6 8.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.726 0.41 . . . . 70.4 111.133 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.611 ' HD3' ' HG3' ' A' ' 100' ' ' LYS . 10.6 mpt_? . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 108.05 -1.093 . . . . 75.41 108.05 167.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 109.392 -0.595 . . . . 75.21 109.392 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.56 148.88 48.83 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.334 0.653 . . . . 71.44 110.851 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.8 t -82.53 113.17 20.07 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.557 -0.905 . . . . 73.35 108.557 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -67.99 -49.93 58.67 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.458 0.703 . . . . 72.43 111.151 -171.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.95 -30.24 69.49 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.19 -0.459 . . . . 73.52 111.746 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -74.76 -23.23 58.5 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 110.016 -0.364 . . . . 72.14 110.016 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.1 t -86.03 -30.49 22.63 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.291 0.636 . . . . 51.21 111.087 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.2 mtm -90.48 -53.22 4.53 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.866 0.466 . . . . 73.23 111.762 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 36.2 p -96.65 -20.64 18.14 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.106 0.562 . . . . 75.43 110.91 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 90.27 -0.3 78.03 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.219 -0.446 . . . . 60.2 112.925 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -131.92 144.33 50.76 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.457 0.703 . . . . 72.15 110.946 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 42.3 t -122.84 122.78 39.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.59 1.156 . . . . 75.34 108.911 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -15.79 61.75 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.887 0.875 . . . . 74.42 112.6 -174.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' TYR . . . . . 0.407 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 76.9 m-85 -86.73 -27.06 23.9 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.331 0.652 . . . . 74.44 111.025 176.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.93 -125.74 30.76 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 111.827 -0.509 . . . . 74.34 111.827 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.4 p -71.98 -15.65 62.06 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 117.394 0.597 . . . . 71.41 112.208 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 57.7 mtm-85 -73.73 -15.78 61.2 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.44 0.696 . . . . 74.01 111.623 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 49.1 t -67.61 127.8 34.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.886 0.874 . . . . 64.51 110.385 177.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -85.07 9.12 15.65 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.454 0.702 . . . . 73.2 111.911 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -113.17 149.5 33.57 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.907 0.883 . . . . 74.34 110.533 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 44.3 mt -64.08 120.08 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.458 1.103 . . . . 72.41 110.842 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -92.46 94.14 8.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.89 0.476 . . . . 71.11 110.051 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.9 mttp . . . . . 0 N--CA 1.47 0.542 0 N-CA-C 108.159 -1.052 . . . . 64.31 108.159 168.798 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.621 0.248 . . . . 75.23 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 65.91 15.99 10.29 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.054 1.342 . . . . 75.52 112.899 167.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.8 p -79.43 -15.33 58.0 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.625 0.77 . . . . 71.0 110.972 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.46 142.28 49.18 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.4 1.08 . . . . 70.41 108.808 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.0 149.69 44.28 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.398 0.618 . . . . 73.12 111.681 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 113' ' ' CYS . 53.0 t -81.93 112.83 19.39 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.848 -1.069 . . . . 65.42 109.333 177.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.69 -42.77 97.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.72 0.808 . . . . 75.4 110.489 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.39 -35.29 75.41 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 124.113 0.883 . . . . 62.35 111.68 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -70.73 -47.45 59.66 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.899 0.48 . . . . 73.42 110.489 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -62.71 -40.5 97.36 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.972 0.509 . . . . 75.32 111.852 -175.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -79.75 -28.72 40.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.969 0.508 . . . . 75.31 111.927 -172.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 m -113.25 -6.82 13.58 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.031 0.752 . . . . 63.21 113.031 -174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 67.34 13.64 9.43 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.879 1.272 . . . . 73.24 111.632 -172.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -170.59 134.11 1.06 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.316 1.446 . . . . 74.12 108.411 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 104' ' ' CYS . 53.4 t -82.75 143.43 30.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.406 0.682 . . . . 53.25 110.916 -177.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.5 p -66.29 -41.58 89.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.953 0.901 . . . . 74.54 111.567 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.472 ' HB2' ' HB2' ' A' ' 119' ' ' CYS . 81.4 m-85 -81.09 -33.12 33.57 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.291 0.636 . . . . 74.42 111.27 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 63.6 -103.32 0.67 Allowed Glycine 0 C--N 1.349 1.287 0 O-C-N 123.977 0.798 . . . . 75.22 113.179 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -73.74 -24.55 59.9 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.444 0.698 . . . . 71.13 111.315 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.422 ' HB2' ' HB3' ' A' ' 115' ' ' TYR . 18.5 mm-40 -77.52 -14.23 59.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.162 0.585 . . . . 75.34 111.473 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 115' ' ' TYR . 53.7 t -82.24 126.43 32.09 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.328 0.651 . . . . 75.23 109.97 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -91.03 -6.45 53.89 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.142 0.577 . . . . 54.15 111.55 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -82.71 159.65 22.53 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.647 0.779 . . . . 74.25 111.311 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.64 127.01 31.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.144 0.978 . . . . 51.15 112.732 -175.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -101.19 66.89 1.15 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.28 1.032 . . . . 75.14 108.79 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.82 165.63 14.47 Favored Glycine 0 N--CA 1.471 1.02 0 CA-C-N 115.204 -0.907 . . . . 60.22 111.7 -174.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.24 -21.2 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 122.64 0.376 . . . . 70.35 111.413 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -69.7 -33.01 71.94 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.032 0.444 . . . . 72.01 110.113 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -80.61 -24.73 38.89 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.583 -0.735 . . . . 64.41 111.062 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.08 111.55 3.94 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.93 -0.767 . . . . 73.13 108.93 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 . . . . . 0 N--CA 1.468 0.427 0 C-N-CA 124.641 1.176 . . . . 60.15 109.331 -176.379 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.758 -0.46 . . . . 74.42 109.758 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.453 HD23 ' HB ' ' A' ' 165' ' ' ILE . 92.8 mt -69.96 152.66 44.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.46 0.704 . . . . 72.45 110.929 176.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 24.7 t -84.81 114.0 21.76 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.202 0.601 . . . . 73.23 109.392 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -71.22 -42.23 69.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.301 0.641 . . . . 53.32 109.936 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -62.84 -32.59 73.83 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.268 0.627 . . . . 74.2 111.42 -177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -67.59 -50.29 59.0 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.319 0.648 . . . . 75.43 110.268 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.7 p -74.27 -34.66 63.63 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.268 0.627 . . . . 33.31 112.38 -172.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.7 mtm -75.79 -39.68 56.51 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.939 0.496 . . . . 73.21 112.33 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 43.6 p -96.5 -42.66 7.98 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.802 0.334 . . . . 71.43 110.659 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 141.14 -35.74 1.81 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 111.484 -0.646 . . . . 61.51 111.484 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -147.29 163.95 34.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.99 0.916 . . . . 63.43 110.61 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 36.4 t -120.5 120.46 35.93 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.375 1.07 . . . . 71.22 108.411 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -23.67 61.41 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.593 0.757 . . . . 65.14 112.614 -170.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' TYR . . . . . 0.482 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 23.7 m-85 -66.45 -42.09 88.15 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.034 0.534 . . . . 72.54 111.811 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.91 -102.85 0.62 Allowed Glycine 0 C--N 1.347 1.144 0 O-C-N 123.651 0.595 . . . . 62.33 112.859 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 8.8 t -76.48 -20.66 56.75 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.671 0.788 . . . . 71.53 111.453 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 70.2 mtp180 -73.7 -26.02 60.51 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.326 0.651 . . . . 71.2 110.337 175.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 49.3 t -74.29 122.96 23.7 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.747 0.819 . . . . 71.11 109.889 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -79.14 -11.64 59.98 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.52 0.728 . . . . 71.12 111.826 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -93.9 149.65 21.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.76 0.824 . . . . 64.23 111.162 -174.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.453 ' HB ' HD23 ' A' ' 146' ' ' LEU . 61.6 mt -65.28 125.24 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.547 1.139 . . . . 62.44 110.909 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -97.07 94.83 7.38 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.469 0.708 . . . . 75.11 109.426 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.8 mttp . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 107.839 -1.171 . . . . 73.5 107.839 168.916 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--O 1.242 0.662 0 N-CA-C 108.11 -1.071 . . . . 74.11 108.11 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 121' ' ' PHE . 16.9 ptpt 46.13 47.28 13.08 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.301 1.84 . . . . 73.51 113.052 -177.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -84.49 -18.66 35.11 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 113.89 -1.504 . . . . 73.34 110.941 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.21 165.93 18.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.247 1.019 . . . . 60.43 109.265 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.8 mt -77.55 148.18 35.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.835 0.454 . . . . 63.43 110.739 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.5 t -75.51 122.62 24.14 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.462 1.105 . . . . 73.12 110.389 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.29 -46.48 79.76 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.284 1.034 . . . . 73.5 111.278 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.08 77.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.685 0.794 . . . . 33.54 111.698 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -70.71 -31.08 67.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.559 0.743 . . . . 74.24 111.295 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -84.62 -34.31 23.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.637 0.375 . . . . 54.25 111.719 -177.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -86.31 -45.23 11.43 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.161 0.43 . . . . 64.32 112.161 -174.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.4 p -113.03 -2.04 14.31 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.028 0.531 . . . . 51.42 112.185 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 69.16 -71.12 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.093 1.357 . . . . 72.15 111.651 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.94 94.96 2.4 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.445 -0.576 . . . . 74.31 109.445 172.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 49.0 t -71.66 125.54 27.38 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.113 0.965 . . . . 74.23 110.109 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.8 t -71.8 -26.31 62.36 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.726 0.811 . . . . 61.25 111.655 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.563 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 42.1 m-85 -74.38 -24.73 59.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.669 0.788 . . . . 72.31 111.161 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.3 -142.46 44.48 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.415 0.447 . . . . 64.34 113.199 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -65.29 -17.29 64.39 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.33 0.652 . . . . 63.54 111.952 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -77.54 3.82 12.69 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.077 0.951 . . . . 75.24 111.92 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 113' ' ' CYS . 80.8 m -63.6 138.83 58.66 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.851 0.86 . . . . 52.15 111.58 172.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -78.72 -6.17 55.12 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.52 0.728 . . . . 73.0 111.089 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.56 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 51.6 m-85 -124.84 159.69 30.48 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.165 0.986 . . . . 73.32 110.548 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.57 148.15 37.21 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.891 1.277 . . . . 52.24 112.819 -172.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -105.96 29.06 7.01 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.304 1.042 . . . . 73.53 109.908 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.71 157.29 18.25 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 115.766 -0.652 . . . . 54.43 111.931 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.5 -23.73 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 123.834 0.854 . . . . 61.3 111.351 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -72.66 -34.4 67.22 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.663 0.785 . . . . 75.11 110.916 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -85.09 1.08 49.39 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.187 0.595 . . . . 73.03 111.85 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.5 114.47 8.64 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.419 0.287 . . . . 61.35 110.656 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 107.578 -1.268 . . . . 75.23 107.578 164.729 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 109.46 -0.571 . . . . 51.31 109.46 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 59.1 mt -77.39 148.12 35.68 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.154 0.582 . . . . 75.34 109.49 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 15.4 t -69.67 113.32 6.82 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.145 -0.687 . . . . 65.2 109.145 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.96 -52.61 63.34 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.896 0.878 . . . . 75.01 111.792 -168.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -69.73 -29.72 67.16 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.98 -0.554 . . . . 64.21 111.045 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -73.92 -22.56 59.64 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 109.851 -0.425 . . . . 75.21 109.851 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 51.0 m -84.06 -43.82 14.71 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.481 0.712 . . . . 45.43 111.363 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.0 mtm -83.08 -54.33 5.13 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.084 0.554 . . . . 62.45 111.687 -171.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 22.0 p -96.13 -17.33 20.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.067 0.547 . . . . 73.31 110.074 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 85.2 5.18 85.82 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 116.007 -0.542 . . . . 60.25 113.076 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -134.76 133.97 40.46 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.842 0.857 . . . . 73.33 110.433 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 35.1 t -121.74 123.2 41.28 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.116 0.966 . . . . 71.5 108.739 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -25.15 65.55 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.635 0.774 . . . . 61.31 112.525 -174.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -75.11 -31.81 61.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.479 0.712 . . . . 74.22 111.523 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.01 -115.83 8.57 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.644 0.59 . . . . 42.34 112.979 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.2 p -71.13 -24.31 62.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.206 0.602 . . . . 71.33 111.788 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -84.24 2.62 39.12 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.176 0.59 . . . . 74.23 112.153 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.32 129.28 37.69 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.128 0.571 . . . . 73.32 110.729 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -86.37 -0.16 55.31 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.068 0.547 . . . . 73.2 111.966 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -111.51 150.42 29.97 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.664 0.785 . . . . 72.12 110.39 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.62 115.3 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.865 0.866 . . . . 62.35 111.767 -173.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -81.59 102.61 10.75 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.045 0.538 . . . . 74.53 111.071 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp . . . . . 0 C--O 1.242 0.667 0 C-N-CA 124.022 0.929 . . . . 61.01 108.934 169.885 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.09 -0.707 . . . . 73.11 109.09 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HD3' ' HB3' ' A' ' 127' ' ' GLU . 17.9 ptpt 45.72 37.76 3.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.481 1.912 . . . . 73.11 113.978 178.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.1 p -88.49 -11.98 44.27 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.255 -0.884 . . . . 72.44 110.85 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.51 158.9 39.68 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.635 1.174 . . . . 75.54 109.046 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.3 mt -76.2 156.24 33.8 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.231 0.613 . . . . 64.44 112.459 -173.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 47.4 t -88.84 123.67 33.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.513 1.125 . . . . 70.3 110.614 -175.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.513 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 63.5 m-20 -70.44 -29.53 66.14 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.443 0.697 . . . . 72.31 111.288 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.18 69.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.331 0.653 . . . . 71.21 111.041 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -78.25 -42.46 31.06 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.377 0.671 . . . . 73.42 110.938 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.513 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 17.9 ptpt -76.89 -36.4 56.72 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.18 0.192 . . . . 74.12 111.505 -174.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -91.38 -52.27 4.88 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.74 0.416 . . . . 73.31 111.945 -174.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.2 t -95.95 -26.37 15.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.079 0.552 . . . . 60.15 111.305 -173.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 65.41 20.23 11.73 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.565 1.146 . . . . 62.34 111.116 -172.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -149.28 104.79 3.42 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.991 0.917 . . . . 61.2 109.125 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.4 t -103.95 126.84 51.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.088 0.955 . . . . 63.2 109.233 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.9 p -73.93 -37.65 64.52 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.701 0.8 . . . . 61.13 112.075 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -72.49 -29.29 63.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.991 0.516 . . . . 74.4 111.878 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.9 -108.28 2.31 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.705 0.628 . . . . 72.53 113.295 176.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -75.5 -27.64 58.86 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.458 0.703 . . . . 72.11 110.91 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.65 3.35 37.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.181 0.593 . . . . 71.42 111.406 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.8 t -71.66 118.54 14.62 Favored 'General case' 0 C--N 1.348 0.501 0 N-CA-C 109.313 -0.625 . . . . 72.34 109.313 173.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.481 ' HD2' ' H ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -77.63 14.11 1.11 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.428 0.691 . . . . 72.53 112.339 179.772 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -131.29 141.38 49.95 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.288 1.035 . . . . 73.42 109.516 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.38 138.73 45.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.656 1.182 . . . . 61.34 112.696 -170.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -97.26 28.82 3.45 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.776 0.83 . . . . 53.25 110.197 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 158.66 171.07 24.03 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.754 -0.657 . . . . 71.34 111.651 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.6 p -70.42 -24.78 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.275 0.63 . . . . 52.11 111.075 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -65.34 -34.21 77.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.901 0.88 . . . . 74.42 110.896 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.46 ' HB3' ' HD3' ' A' ' 100' ' ' LYS . 46.2 mt-10 -86.08 -12.6 49.68 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.615 0.766 . . . . 74.42 111.962 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.2 mt -67.93 112.68 5.09 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.395 0.543 . . . . 53.03 110.338 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 N--CA 1.472 0.675 0 N-CA-C 107.387 -1.338 . . . . 73.32 107.387 167.204 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.292 -0.633 . . . . 62.12 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.35 153.22 40.59 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.254 0.622 . . . . 72.44 111.224 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 11.7 t -86.86 114.26 23.36 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.482 0.713 . . . . 74.21 109.556 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -64.76 -51.7 60.89 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.661 0.785 . . . . 61.0 110.64 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.37 -45.25 95.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.6 -0.727 . . . . 74.41 111.436 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 47.6 t80 -71.55 -23.73 61.81 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.089 -0.505 . . . . 74.45 111.813 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.0 p -85.97 -36.23 19.94 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 122.3 -0.25 . . . . 64.3 111.19 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 69.8 mtm -86.12 -52.34 5.74 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.918 0.487 . . . . 75.11 111.92 -174.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 62.9 p -95.85 -26.68 15.53 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.977 0.511 . . . . 42.21 110.625 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 88.51 2.25 79.7 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.769 -0.65 . . . . 74.24 112.694 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -125.31 128.36 48.11 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.161 0.984 . . . . 75.41 109.203 -175.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 49.5 t -121.42 122.58 40.1 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.617 0.767 . . . . 72.15 109.235 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.66 -52.24 62.97 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.215 1.406 . . . . 65.22 111.919 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -70.65 -24.74 62.76 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 114.912 -1.04 . . . . 72.44 112.427 -173.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.82 -117.87 9.14 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 123.457 0.473 . . . . 44.13 113.272 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 36.2 p -75.67 -29.72 59.16 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.888 0.475 . . . . 73.11 110.873 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -75.45 -0.53 20.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.294 0.638 . . . . 74.41 112.121 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 51.5 t -63.24 122.25 15.68 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.14 0.576 . . . . 53.5 109.826 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -81.07 12.0 3.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.043 0.937 . . . . 53.22 111.779 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -121.73 149.24 43.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.602 1.161 . . . . 73.14 110.324 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.439 HG22 ' HG2' ' A' ' 167' ' ' LYS . 25.7 mt -68.34 121.35 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.909 0.884 . . . . 74.2 110.487 -178.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -85.9 98.99 11.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.297 0.639 . . . . 62.34 110.827 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.439 ' HG2' HG22 ' A' ' 165' ' ' ILE . 32.4 mmmt . . . . . 0 N--CA 1.472 0.661 0 C-N-CA 123.846 0.858 . . . . 72.04 109.351 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 C--O 1.24 0.569 0 N-CA-C 109.247 -0.649 . . . . 74.23 109.247 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.532 ' HB2' ' HD3' ' A' ' 129' ' ' ARG . 31.6 mmtp 62.26 21.95 12.84 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.351 1.46 . . . . 64.0 111.828 174.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.2 p -78.63 -8.14 58.35 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.923 0.889 . . . . 71.0 112.633 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.3 165.21 29.95 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.656 0.782 . . . . 55.13 110.138 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.79 149.84 47.52 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.177 0.591 . . . . 73.33 111.453 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.0 t -88.93 120.32 30.23 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.668 0.787 . . . . 72.31 110.243 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.413 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 29.6 t70 -66.28 -37.16 84.81 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.622 0.769 . . . . 74.22 110.481 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.97 -22.1 64.13 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.555 0.742 . . . . 75.13 112.032 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 87.5 t80 -86.99 -36.12 18.43 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 122.995 0.518 . . . . 65.22 111.206 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 14.5 ptmm? -86.31 -37.88 18.07 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 111.979 0.363 . . . . 71.43 111.979 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -92.73 -50.53 5.53 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.635 0.774 . . . . 71.32 111.896 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.2 t -92.7 -12.93 30.21 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.042 0.537 . . . . 64.2 111.66 -175.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 23.6 tp60 69.59 -67.8 0.21 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.624 1.57 . . . . 70.23 111.505 -175.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.21 106.48 7.85 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.147 0.579 . . . . 71.31 110.034 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.77 125.75 30.08 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.846 0.858 . . . . 73.43 109.594 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.5 p -67.92 -32.59 73.16 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.823 0.849 . . . . 71.53 112.128 -172.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -72.96 -41.39 64.47 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.703 0.401 . . . . 75.32 111.091 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.16 -107.46 1.97 Allowed Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.992 -0.549 . . . . 61.53 112.551 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -73.82 -19.78 60.65 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.351 0.661 . . . . 75.22 111.56 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -89.02 0.73 56.42 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.585 0.754 . . . . 70.25 111.697 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 45.9 t -71.48 130.55 41.56 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.153 0.581 . . . . 70.35 110.367 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -81.18 -7.06 59.49 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.062 0.545 . . . . 75.4 111.284 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -110.25 154.43 23.43 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.964 0.905 . . . . 72.32 110.561 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.39 138.72 43.55 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.778 1.231 . . . . 73.12 112.487 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -108.77 29.19 7.68 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.713 0.805 . . . . 74.1 109.916 174.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.84 154.7 13.2 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 111.809 -0.516 . . . . 75.34 111.809 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.509 ' HA ' HD23 ' A' ' 128' ' ' LEU . 12.1 p -63.05 -32.81 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.045 0.938 . . . . 70.14 111.555 -177.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -68.05 -24.44 65.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.18 0.992 . . . . 55.44 111.588 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -86.4 -7.44 58.44 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.242 -0.885 . . . . 73.02 113.168 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 125' ' ' VAL . 4.3 mm? -67.47 110.34 3.59 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 119.73 1.15 . . . . 71.25 111.206 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.532 ' HD3' ' HB2' ' A' ' 100' ' ' LYS . 10.7 mpt_? . . . . . 0 N--CA 1.47 0.574 0 C-N-CA 124.312 1.045 . . . . 61.12 109.205 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.0 t . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 108.542 -0.911 . . . . 72.45 108.542 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 56.8 mt -77.16 157.56 30.87 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.984 0.513 . . . . 72.1 111.804 -175.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.2 118.66 19.16 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.386 1.074 . . . . 64.41 110.146 -175.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.57 -47.91 83.71 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.471 1.108 . . . . 75.54 111.097 -175.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.68 -43.28 97.15 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.163 -0.926 . . . . 73.12 110.924 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.83 -24.11 61.65 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.703 -0.68 . . . . 64.22 110.442 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.4 t -80.68 -34.46 34.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.458 0.703 . . . . 55.31 111.137 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.7 mtm -86.02 -52.52 5.65 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.134 0.574 . . . . 55.24 111.496 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 35.9 p -97.01 -19.47 18.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.245 0.618 . . . . 73.21 111.307 -172.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 88.66 -3.21 85.01 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-N 116.259 -0.428 . . . . 54.55 112.549 -174.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -136.58 143.16 43.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.86 0.864 . . . . 61.44 110.227 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 53.6 t -122.07 138.16 54.55 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.989 0.915 . . . . 71.41 108.929 175.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -77.02 -50.76 12.39 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.678 0.791 . . . . 74.25 111.652 -174.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' TYR . . . . . 0.441 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 35.4 m-85 -65.99 -28.87 69.22 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 113.056 0.761 . . . . 74.2 113.056 -174.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.84 -109.07 2.71 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 123.186 0.304 . . . . 65.24 113.111 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 15.0 t -72.58 -24.36 61.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.999 0.519 . . . . 64.41 110.745 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 56.5 mtp180 -77.17 -11.42 59.82 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.711 0.804 . . . . 74.45 111.769 177.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.48 137.73 48.42 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 123.064 0.545 . . . . 72.12 110.537 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.72 -49.89 48.87 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.397 -0.82 . . . . 71.13 111.19 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -93.38 151.44 19.76 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.064 0.946 . . . . 71.13 111.926 -166.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.23 129.71 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 124.517 1.127 . . . . 62.25 112.227 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -86.56 94.17 9.37 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.159 -0.682 . . . . 75.12 109.159 172.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.9 tptp . . . . . 0 C--O 1.241 0.614 0 N-CA-C 108.227 -1.027 . . . . 73.53 108.227 178.911 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 32.3 t80 . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 106.187 -1.783 . . . . 72.2 106.187 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt 53.47 15.77 0.78 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 126.023 1.729 . . . . 71.41 113.358 -174.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 p -85.54 0.47 52.34 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.177 0.991 . . . . 71.23 110.597 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -143.08 154.05 43.55 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.199 1.4 . . . . 50.42 108.308 172.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.25 156.36 38.57 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 121.655 0.74 . . . . 71.21 112.672 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.465 ' HG ' ' HG ' ' A' ' 119' ' ' CYS . 35.1 t -87.44 114.54 24.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.915 1.286 . . . . 75.05 109.642 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -68.59 -38.66 80.84 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.216 0.606 . . . . 74.31 110.901 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.85 70.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.701 0.801 . . . . 72.14 111.593 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -74.49 -33.25 62.8 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.393 0.677 . . . . 74.52 110.934 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -84.68 -26.2 27.92 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 122.623 0.369 . . . . 72.04 111.509 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -91.0 -51.74 5.19 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.957 0.503 . . . . 73.31 111.299 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.7 t -87.44 -13.51 43.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.299 0.64 . . . . 71.25 111.657 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 75.58 -65.51 0.32 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.08 1.352 . . . . 53.45 109.229 -175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.35 109.26 18.88 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.162 0.585 . . . . 71.14 109.524 170.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.0 t -70.43 132.25 45.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.72 0.808 . . . . 71.22 109.912 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.7 m -62.7 -37.76 87.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.811 0.845 . . . . 62.12 112.318 -172.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -75.73 -29.23 58.83 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.698 0.399 . . . . 71.53 110.995 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.96 -121.58 16.79 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.219 -0.446 . . . . 60.44 112.186 -177.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.04 -14.4 61.41 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.117 0.567 . . . . 71.04 111.668 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.95 -0.53 51.83 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.652 0.781 . . . . 72.24 111.332 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.465 ' HG ' ' HG ' ' A' ' 104' ' ' CYS . 48.1 t -71.81 128.11 34.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.712 0.805 . . . . 73.41 110.684 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -70.52 -22.48 62.62 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.049 0.94 . . . . 65.35 112.311 -175.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -103.0 161.16 13.99 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.639 0.775 . . . . 63.12 111.098 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.08 136.4 41.16 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.698 1.199 . . . . 71.33 113.112 -170.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -98.7 85.53 3.35 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.724 0.81 . . . . 63.25 109.535 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.76 157.32 33.48 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 115.667 -0.697 . . . . 75.12 111.683 -174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.05 -23.13 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.342 0.657 . . . . 54.11 110.486 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -68.14 -37.18 80.79 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.701 -0.681 . . . . 71.14 110.966 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -85.12 -14.75 46.12 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.754 0.821 . . . . 71.4 109.225 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tt -70.7 112.52 6.99 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.365 -0.976 . . . . 64.23 108.365 174.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 108.047 -1.094 . . . . 63.42 108.047 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.242 0.699 0 N-CA-C 108.82 -0.807 . . . . 75.11 108.82 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.96 153.07 44.52 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.115 0.566 . . . . 73.52 110.835 176.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 156' ' ' CYS . 43.1 t -71.76 113.94 9.32 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.602 -0.888 . . . . 75.54 108.602 171.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.42 -45.41 88.52 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.049 0.939 . . . . 73.31 112.001 -170.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.516 ' HA ' ' HE2' ' A' ' 149' ' ' LYS . 9.7 mmpt? -72.43 -41.66 65.92 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.578 -0.737 . . . . 72.44 111.577 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.487 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 46.9 t80 -71.18 -26.61 63.04 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 122.196 -0.315 . . . . 74.41 111.127 -177.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.8 p -82.47 -48.86 10.57 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.912 0.485 . . . . 54.3 111.142 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 78.5 mtm -83.65 -54.05 5.21 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.743 0.417 . . . . 73.44 111.989 -173.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 68.5 p -97.24 -8.34 30.12 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.704 0.401 . . . . 65.22 111.633 -175.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 80.8 -0.56 86.21 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 114.0 0.36 . . . . 74.44 114.0 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -134.74 125.64 27.4 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.613 0.765 . . . . 73.34 109.016 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' CYS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 52.6 t -106.57 121.76 44.96 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.176 -0.675 . . . . 71.54 109.176 176.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -23.2 60.97 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.858 0.863 . . . . 74.53 112.261 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' TYR . . . . . 0.548 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 78.8 m-85 -79.25 -32.82 43.88 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.22 0.608 . . . . 71.12 110.914 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.68 -109.38 2.72 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 116.067 -0.515 . . . . 72.13 113.341 177.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 67.7 p -72.96 -25.48 61.03 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.513 0.725 . . . . 75.23 111.014 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.3 mtm-85 -73.35 -21.35 60.56 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.665 -0.698 . . . . 75.23 110.871 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' CYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 46.1 t -71.58 118.34 14.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.545 0.738 . . . . 45.31 110.792 -178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 18.6 pm0 -92.18 -21.3 20.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.167 0.987 . . . . 62.12 110.804 -177.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -78.64 151.18 32.43 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.595 0.758 . . . . 73.53 111.416 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 30.1 mt -56.24 111.11 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.909 1.284 . . . . 65.25 112.838 -166.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -83.35 91.58 7.36 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.24 0.543 . . . . 74.1 109.61 167.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? . . . . . 0 C--O 1.242 0.7 0 C-N-CA 123.93 0.892 . . . . 75.22 109.014 170.454 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 107.801 -1.185 . . . . 71.01 107.801 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 67.86 28.28 7.07 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.72 1.208 . . . . 74.01 110.969 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 65.1 p -77.87 -23.22 48.89 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 114.788 -1.096 . . . . 75.15 110.461 171.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.47 156.09 45.36 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.087 1.355 . . . . 73.02 108.762 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 122' ' ' ALA . 98.7 mt -71.56 154.68 41.28 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.088 0.555 . . . . 70.31 111.159 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . 44.5 t -81.18 116.64 21.17 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.032 0.933 . . . . 73.25 110.493 -175.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.24 -42.29 94.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.171 0.988 . . . . 74.13 111.244 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.75 77.79 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.052 0.941 . . . . 74.14 111.869 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.429 ' HB3' ' HB3' ' A' ' 104' ' ' CYS . 78.9 t80 -74.63 -29.88 61.44 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.779 0.832 . . . . 71.32 111.055 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.422 ' HZ2' ' HB2' ' A' ' 108' ' ' LYS . 10.4 mtmp? -81.08 -31.49 34.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.419 0.288 . . . . 72.1 111.328 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -91.54 -50.87 5.55 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.059 0.544 . . . . 74.41 111.895 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.6 t -103.87 -12.62 16.78 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.361 0.664 . . . . 74.53 111.95 -171.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 72.24 -61.48 0.49 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.296 1.438 . . . . 65.33 110.629 -172.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.31 114.18 8.19 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.348 0.659 . . . . 62.32 110.231 172.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.1 t -93.12 126.58 38.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.259 1.024 . . . . 61.04 109.261 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.3 m -64.69 -32.03 73.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.7 0.8 . . . . 63.41 112.106 -174.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -72.81 -32.1 65.3 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.94 0.496 . . . . 64.43 111.533 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 61.11 -111.09 3.51 Favored Glycine 0 C--N 1.352 1.422 0 O-C-N 123.581 0.55 . . . . 74.35 114.167 174.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -70.62 -32.38 69.7 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.447 0.699 . . . . 74.4 110.674 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -90.46 19.5 5.21 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.074 0.949 . . . . 73.23 111.569 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.5 t -81.68 123.39 28.68 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.584 0.754 . . . . 62.01 110.278 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -88.12 16.09 6.59 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.718 0.807 . . . . 65.31 111.446 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -132.39 149.31 52.37 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.813 0.845 . . . . 61.44 109.44 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.465 ' HB3' HD23 ' A' ' 103' ' ' LEU . . . -74.44 131.45 41.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.356 1.062 . . . . 70.14 113.779 -163.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -98.77 34.71 2.0 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.099 0.96 . . . . 74.51 110.628 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 151.63 174.7 22.64 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 115.629 -0.714 . . . . 60.32 111.762 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.84 -30.13 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.336 0.654 . . . . 64.23 110.175 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -65.89 -33.35 75.63 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.383 -0.826 . . . . 62.44 110.791 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -83.09 -25.01 32.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.727 0.811 . . . . 73.44 111.07 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.3 tp -82.41 112.76 19.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.578 0.751 . . . . 74.02 111.405 -172.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 106.834 -1.543 . . . . 72.42 106.834 167.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 C--O 1.245 0.838 0 N-CA-C 109.143 -0.688 . . . . 72.3 109.143 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.425 HD23 ' HB ' ' A' ' 165' ' ' ILE . 91.5 mt -70.78 160.04 33.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.221 0.608 . . . . 63.14 110.505 174.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 150' ' ' PHE . 24.8 t -74.76 112.7 11.24 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.067 -0.716 . . . . 73.43 109.067 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.5 -33.12 70.86 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.495 0.718 . . . . 65.3 111.365 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -63.1 -50.13 71.7 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.382 0.673 . . . . 71.3 109.888 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.525 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 57.3 t80 -67.58 -21.59 65.42 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.618 -1.174 . . . . 64.42 111.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.4 t -84.68 -44.47 13.39 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.276 0.63 . . . . 55.12 111.653 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 75.5 mtm -82.76 -46.85 12.63 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.033 0.533 . . . . 70.54 111.887 -171.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.4 p -95.89 -23.09 17.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.739 0.416 . . . . 55.4 110.216 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 93.88 -4.95 72.37 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.954 -0.566 . . . . 63.13 112.503 -176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -133.66 140.19 46.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.678 0.791 . . . . 75.22 110.995 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' CYS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 46.2 t -121.52 122.58 40.04 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.174 0.99 . . . . 72.41 108.898 176.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -73.39 -17.2 61.3 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.714 0.806 . . . . 33.41 112.346 -173.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -81.77 -40.16 23.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.163 0.585 . . . . 75.33 111.116 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.94 -113.35 5.68 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 123.384 0.428 . . . . 45.31 112.587 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 11.5 t -71.9 -16.54 62.13 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.227 0.611 . . . . 62.01 111.19 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -90.97 7.14 41.75 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.957 0.903 . . . . 74.23 111.725 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.42 130.3 34.62 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.303 0.641 . . . . 70.54 110.457 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -83.82 -4.03 58.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.716 0.406 . . . . 73.45 111.559 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.24 151.25 21.68 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.907 0.883 . . . . 70.04 110.806 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.425 ' HB ' HD23 ' A' ' 146' ' ' LEU . 33.0 mt -69.13 125.36 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.848 0.859 . . . . 74.21 111.153 -175.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -97.52 101.07 12.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.205 0.602 . . . . 75.14 110.567 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 124.013 0.925 . . . . 75.31 108.592 169.557 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.8 t80 . . . . . 0 C--O 1.239 0.543 0 N-CA-C 106.494 -1.669 . . . . 73.35 106.494 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 pttp 46.24 37.13 3.75 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.671 1.589 . . . . 72.31 112.465 -175.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.9 p -88.48 -13.48 40.19 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 113.994 -1.457 . . . . 63.01 110.601 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -124.72 145.0 49.93 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.624 1.17 . . . . 63.3 108.4 171.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 122' ' ' ALA . 78.9 mt -66.11 157.26 31.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.461 0.704 . . . . 72.41 112.175 -177.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.8 t -84.09 139.51 32.42 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.182 0.993 . . . . 71.42 111.187 -177.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -67.02 -41.13 87.13 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.168 0.987 . . . . 75.02 110.78 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.02 -25.77 61.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.963 0.905 . . . . 60.2 111.577 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -67.65 -32.77 73.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.803 0.841 . . . . 73.14 111.06 175.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -85.65 -50.91 6.82 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.12 0.568 . . . . 70.24 110.941 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -74.53 -51.15 15.51 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.506 0.722 . . . . 75.05 112.244 -173.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.8 m -105.07 -9.08 18.06 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.245 0.618 . . . . 74.34 111.829 -172.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 72.46 -59.93 0.55 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.399 1.48 . . . . 74.4 110.732 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.35 141.02 33.18 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.564 0.746 . . . . 73.33 110.281 170.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.1 t -105.58 125.89 51.51 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.738 0.815 . . . . 74.22 109.228 176.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.8 m -69.92 -26.95 64.39 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.554 0.742 . . . . 72.54 111.884 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' ' 119' ' ' CYS . 74.1 m-85 -75.96 -33.93 59.81 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.141 0.576 . . . . 73.44 110.898 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.02 -107.84 2.07 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 123.502 0.501 . . . . 72.34 113.099 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -80.05 -16.58 54.78 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.177 0.591 . . . . 70.31 111.363 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -78.1 -14.9 59.31 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.076 0.55 . . . . 70.13 110.985 174.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' ' 115' ' ' TYR . 42.3 t -79.04 121.49 25.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.603 0.761 . . . . 75.05 109.473 176.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -94.85 27.64 3.03 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.549 0.74 . . . . 75.23 111.237 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -130.87 145.3 51.96 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.053 0.941 . . . . 72.43 109.503 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.439 ' HB3' HD23 ' A' ' 103' ' ' LEU . . . -67.06 131.09 45.12 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.029 0.932 . . . . 44.24 113.351 -167.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -97.67 47.81 1.02 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.452 1.101 . . . . 74.4 109.278 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 134.88 164.51 10.52 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 114.862 -1.063 . . . . 74.22 111.962 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.48 -23.83 26.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.01 0.524 . . . . 61.12 111.136 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -62.5 -25.55 68.08 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.824 0.85 . . . . 72.44 111.908 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.461 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . 16.4 mm-40 -107.74 -9.58 15.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.4 0.68 . . . . 65.34 112.234 176.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -75.75 110.86 10.53 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.876 -0.787 . . . . 62.14 108.876 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.461 ' NH1' ' HA ' ' A' ' 127' ' ' GLU . 10.0 mpt_? . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 124.204 1.002 . . . . 74.4 109.266 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 108.939 -0.763 . . . . 71.41 108.939 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 59.1 mt -69.31 155.75 39.9 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.048 0.539 . . . . 44.54 110.383 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 156' ' ' CYS . 30.8 t -77.31 116.29 17.79 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.301 0.64 . . . . 74.21 110.481 -175.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.07 -50.1 71.89 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.983 0.913 . . . . 73.54 110.689 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -60.84 -41.34 95.62 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.69 0.796 . . . . 71.31 110.831 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -67.27 -30.53 70.43 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.9 -0.591 . . . . 71.41 110.767 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.9 t -86.9 -28.99 22.47 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.523 0.729 . . . . 61.32 112.235 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.1 mtm -98.11 -53.21 3.44 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.988 0.515 . . . . 63.22 111.649 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 41.8 p -96.57 -0.9 48.03 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.065 0.546 . . . . 72.32 111.566 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 99.03 -44.53 1.69 Allowed Glycine 0 C--N 1.349 1.302 0 CA-C-N 116.559 -0.292 . . . . 73.32 112.65 174.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -128.45 149.86 50.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.577 0.751 . . . . 74.44 109.538 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 147' ' ' CYS . 53.0 t -78.85 121.19 24.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.931 0.892 . . . . 65.41 110.096 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -21.75 61.84 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.137 0.575 . . . . 74.34 111.728 -177.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -71.83 -29.67 64.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.424 0.69 . . . . 72.11 111.013 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.53 -115.72 7.93 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 123.769 0.668 . . . . 72.32 113.199 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.9 t -83.57 -7.04 59.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.442 0.697 . . . . 74.24 111.507 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -98.23 12.26 35.23 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.7 0.8 . . . . 73.34 111.001 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.55 152.1 46.23 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.61 0.764 . . . . 52.33 112.52 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.08 2.79 13.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.033 0.933 . . . . 74.24 111.456 -176.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -129.53 151.45 50.14 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.817 0.847 . . . . 73.52 110.749 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 30.1 mt -64.29 124.27 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.231 1.012 . . . . 73.32 111.645 -173.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -86.24 95.83 9.74 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.394 0.678 . . . . 70.32 109.363 173.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.48 -0.563 . . . . 74.01 109.48 173.08 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 110.016 -0.364 . . . . 54.32 110.016 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 60.32 27.91 17.5 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.259 1.423 . . . . 74.04 112.96 166.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.1 p -72.03 -26.5 62.22 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.194 0.998 . . . . 63.44 111.195 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.88 162.48 29.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.712 1.205 . . . . 73.32 108.745 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.44 156.61 38.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.215 0.606 . . . . 71.43 111.764 -177.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 51.5 t -91.09 119.68 31.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.685 1.194 . . . . 64.1 110.685 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.13 -43.6 98.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.525 0.73 . . . . 72.54 110.638 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.37 70.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.845 0.858 . . . . 73.11 112.052 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -73.05 -35.8 66.79 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.122 0.569 . . . . 63.44 110.588 176.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -81.17 -27.68 35.31 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 112.009 0.374 . . . . 71.14 112.009 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -90.91 -51.02 5.56 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.928 0.491 . . . . 75.24 111.024 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.0 m -113.12 -5.04 13.73 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.049 0.759 . . . . 64.13 113.049 -169.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 69.6 -71.35 0.12 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.063 1.345 . . . . 54.42 111.129 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.93 96.18 1.66 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.173 0.589 . . . . 75.23 110.324 176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 23.3 t -72.96 127.19 31.83 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.2 1.0 . . . . 64.5 110.054 177.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.7 t -64.69 -31.66 72.99 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.924 0.89 . . . . 74.1 112.109 -173.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -70.91 -35.31 72.23 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.025 0.53 . . . . 71.32 111.656 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.0 -109.09 2.34 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.286 0.366 . . . . 75.02 113.19 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.43 -28.63 59.43 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.641 0.777 . . . . 71.44 110.954 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -76.52 -2.35 31.87 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.486 0.715 . . . . 61.44 111.889 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 12.5 t -69.96 127.27 32.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.587 0.755 . . . . 55.13 110.733 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -88.12 11.35 16.47 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.779 0.832 . . . . 72.12 111.273 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -133.43 152.04 51.87 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.336 1.054 . . . . 64.0 109.984 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.56 137.4 37.14 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.52 1.128 . . . . 72.31 112.366 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -97.86 28.68 3.76 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.138 0.975 . . . . 70.05 109.972 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 167.56 162.08 18.54 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 115.572 -0.74 . . . . 72.23 111.336 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.41 -24.35 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.467 0.707 . . . . 74.05 110.945 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -64.19 -34.43 78.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.659 1.184 . . . . 72.12 111.109 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -93.07 2.85 56.55 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.718 -0.674 . . . . 63.32 112.28 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.1 mt -74.72 111.32 9.8 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.368 -0.604 . . . . 65.31 109.368 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.236 0.37 0 N-CA-C 108.212 -1.032 . . . . 74.43 108.212 -175.9 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.835 -0.431 . . . . 72.34 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 167' ' ' LYS . 81.0 mt -77.43 160.0 29.03 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.739 0.815 . . . . 75.24 111.548 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' CYS . . . . . 0.435 ' HG ' ' HG ' ' A' ' 156' ' ' CYS . 54.1 t -82.77 115.6 21.76 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.225 1.01 . . . . 75.5 109.291 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.84 -53.64 55.54 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.825 0.85 . . . . 75.04 111.234 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.441 ' HE2' ' HE3' ' A' ' 157' ' ' LYS . 32.3 mmmt -59.16 -45.46 90.93 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.366 -0.834 . . . . 73.55 111.418 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.41 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 34.8 t80 -75.98 -29.23 58.14 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.997 -0.547 . . . . 65.23 110.859 -172.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 63.9 m -73.28 -32.67 64.79 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.798 0.439 . . . . 74.51 111.305 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.7 mtm -88.44 -52.76 5.01 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.84 0.456 . . . . 60.32 111.746 -174.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 61.5 p -98.22 -27.12 14.3 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.091 0.556 . . . . 60.14 111.876 -173.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 92.58 4.76 65.51 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 116.304 -0.407 . . . . 62.22 112.292 -171.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -136.23 138.83 42.25 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.125 0.97 . . . . 62.31 110.035 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' CYS . . . . . 0.435 ' HG ' ' HG ' ' A' ' 147' ' ' CYS . 47.2 t -121.77 124.25 43.74 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.908 0.883 . . . . 71.54 109.684 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.441 ' HE3' ' HE2' ' A' ' 149' ' ' LYS . 18.3 ptpt -67.79 -24.65 65.33 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.772 0.829 . . . . 74.51 112.492 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -78.47 -24.61 45.88 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.174 0.59 . . . . 74.42 110.886 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.15 -124.63 30.51 Favored Glycine 0 C--N 1.351 1.361 0 O-C-N 123.558 0.536 . . . . 61.41 113.234 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.4 p -71.99 -20.74 61.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.401 0.68 . . . . 74.22 111.669 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -82.04 -1.49 48.6 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.477 0.711 . . . . 75.43 111.95 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.36 123.1 20.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.134 0.574 . . . . 75.0 110.309 175.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -77.08 -32.01 56.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.555 0.742 . . . . 75.24 111.502 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -83.47 148.02 27.49 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.203 0.601 . . . . 73.23 111.238 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.63 118.09 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.716 1.206 . . . . 72.14 111.7 -174.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -76.07 92.27 3.18 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.733 0.778 . . . . 75.11 109.712 169.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.41 ' HB2' HD22 ' A' ' 146' ' ' LEU . 28.1 tptp . . . . . 0 C--O 1.242 0.66 0 CA-C-N 114.275 -1.329 . . . . 63.4 108.213 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.8 t80 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 108.865 -0.791 . . . . 72.2 108.865 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.0 pttp 47.83 47.19 18.47 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 126.195 1.798 . . . . 72.5 113.104 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -97.41 -10.7 24.97 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.478 -1.237 . . . . 73.25 111.072 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.17 145.02 51.79 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.785 1.234 . . . . 75.4 108.857 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.02 149.95 22.02 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.632 0.975 . . . . 73.43 113.632 -173.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . 36.3 t -84.91 113.68 21.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.586 -1.188 . . . . 71.03 108.998 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.3 -33.4 72.31 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.915 0.886 . . . . 64.22 110.838 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.5 76.12 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.428 0.691 . . . . 54.13 111.579 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.416 ' HB3' ' HB3' ' A' ' 104' ' ' CYS . 77.6 t80 -72.55 -31.41 65.25 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.844 0.857 . . . . 70.44 111.019 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -77.78 -52.82 8.31 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.125 -0.489 . . . . 64.43 111.114 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -82.31 -49.99 9.44 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.124 0.569 . . . . 64.54 111.218 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 m -101.42 -20.72 15.03 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.306 0.643 . . . . 54.13 111.989 -172.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 61.25 27.54 17.23 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.539 1.135 . . . . 54.12 111.381 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.71 122.13 7.89 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.056 0.942 . . . . 75.34 109.176 -177.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 50.8 t -119.75 126.17 50.4 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.695 0.798 . . . . 62.21 109.213 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 m -74.84 -19.08 60.32 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.659 0.784 . . . . 74.52 111.98 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -83.1 -18.61 38.95 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.355 0.662 . . . . 71.53 111.595 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.57 -135.38 33.33 Favored Glycine 0 C--N 1.35 1.355 0 O-C-N 123.431 0.457 . . . . 52.04 113.143 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -70.4 -21.19 62.88 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.231 0.612 . . . . 75.44 111.299 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -81.02 5.68 15.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.392 0.677 . . . . 75.44 111.596 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.41 132.85 52.77 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.994 0.917 . . . . 74.03 110.879 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -83.96 9.06 13.21 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.391 0.677 . . . . 61.22 111.507 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -127.74 140.83 51.82 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.021 0.928 . . . . 63.34 109.693 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.0 133.2 47.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.846 1.258 . . . . 70.31 112.976 -171.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -95.04 46.0 1.11 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.753 0.821 . . . . 73.4 110.788 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.53 173.33 13.35 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 115.984 -0.553 . . . . 73.34 112.555 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.78 -25.07 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.267 0.627 . . . . 72.14 111.007 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -69.78 -26.78 64.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.545 0.738 . . . . 70.42 110.782 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -91.18 -12.13 36.29 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.377 0.671 . . . . 72.31 111.962 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.25 110.34 9.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.19 0.519 . . . . 64.11 110.371 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 107.388 -1.338 . . . . 75.3 107.388 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 109.369 -0.604 . . . . 73.04 109.369 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 67.7 mt -76.19 155.53 34.45 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.776 0.43 . . . . 61.33 110.782 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 25.8 t -81.03 115.94 20.74 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.703 0.801 . . . . 74.32 110.634 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.35 -40.75 97.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.675 1.19 . . . . 63.34 110.738 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -61.94 -50.57 71.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.818 0.847 . . . . 61.21 110.863 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 33.1 t80 -68.65 -27.72 66.25 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.939 0.896 . . . . 72.03 110.298 -176.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 46.8 t -71.92 -45.52 60.9 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.65 0.78 . . . . 74.43 111.387 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 56.4 mtm -81.31 -53.59 6.2 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.605 0.362 . . . . 72.45 111.917 -173.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.8 p -96.47 -0.78 48.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.984 -0.553 . . . . 75.42 111.887 -168.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 93.1 -44.58 2.49 Favored Glycine 0 C--N 1.349 1.267 0 N-CA-C 112.427 -0.269 . . . . 71.13 112.427 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -122.39 157.65 31.41 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.855 0.862 . . . . 74.11 110.119 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 42.9 t -100.98 122.74 44.05 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.986 0.915 . . . . 71.34 109.075 177.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -66.0 -25.3 67.02 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.252 0.621 . . . . 60.03 111.889 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -67.71 -34.22 76.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.595 0.758 . . . . 72.21 110.832 176.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 68.7 -127.68 22.99 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 123.701 0.625 . . . . 51.31 112.807 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 36.7 p -77.79 -4.8 48.27 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.035 0.534 . . . . 73.35 111.521 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -88.98 3.75 50.53 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.328 0.651 . . . . 61.52 110.976 172.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 41.9 t -81.19 143.73 32.13 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.411 0.684 . . . . 74.11 110.351 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -104.57 16.07 26.81 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.78 0.832 . . . . 70.35 110.965 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -126.98 150.65 49.3 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.102 0.961 . . . . 64.4 110.731 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.15 129.98 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.067 0.947 . . . . 73.53 111.403 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -104.27 94.81 5.55 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.927 0.891 . . . . 63.2 109.496 174.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.364 -0.976 . . . . 64.21 108.364 171.71 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 C--O 1.238 0.464 0 CA-C-O 121.396 0.617 . . . . 53.24 112.339 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.53 ' HB2' ' HB2' ' A' ' 129' ' ' ARG . 29.5 mmtp 65.36 17.92 11.15 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.345 1.858 . . . . 63.01 112.243 169.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 p -70.86 -34.32 71.51 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.739 0.816 . . . . 42.35 112.194 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -128.53 160.59 31.86 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.069 0.948 . . . . 63.34 109.293 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.1 152.48 42.32 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.181 0.515 . . . . 52.13 111.17 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.3 t -86.38 111.27 20.33 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.348 1.059 . . . . 61.31 109.647 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.86 -45.51 93.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.928 0.891 . . . . 73.12 110.17 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.83 74.6 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.323 1.015 . . . . 72.43 111.753 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.38 -62.52 1.55 Allowed 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.598 -0.728 . . . . 64.33 110.216 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -64.51 -37.29 87.03 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.58 0.752 . . . . 74.13 113.011 -168.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -66.8 -33.93 76.69 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.067 0.547 . . . . 63.0 111.737 -175.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.3 p -113.43 -1.3 14.21 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.321 0.649 . . . . 72.2 111.901 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 67.76 19.2 9.7 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.271 1.428 . . . . 74.42 112.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.47 140.68 6.11 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.7 1.2 . . . . 65.52 109.256 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.83 126.75 52.22 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.33 -0.619 . . . . 52.32 109.33 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 p -65.28 -36.44 84.11 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.775 0.83 . . . . 74.15 111.616 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -71.62 -39.83 70.19 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.652 0.781 . . . . 74.33 110.823 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.86 -98.97 0.23 Allowed Glycine 0 C--N 1.348 1.218 0 CA-C-N 115.714 -0.675 . . . . 64.12 113.029 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -79.32 -22.73 44.14 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.366 0.667 . . . . 62.11 111.294 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -87.94 10.66 18.05 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.181 0.592 . . . . 74.41 111.445 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 47.6 t -85.52 134.67 34.02 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.085 0.554 . . . . 75.42 110.029 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -91.55 -2.77 57.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.65 0.78 . . . . 73.4 111.91 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -115.15 153.07 31.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.516 0.726 . . . . 73.31 110.361 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.77 141.18 46.28 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.967 0.907 . . . . 72.42 112.237 -174.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -101.86 29.53 4.93 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.96 0.904 . . . . 72.41 111.151 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.81 165.57 23.37 Favored Glycine 0 C--N 1.339 0.709 0 CA-C-N 115.617 -0.72 . . . . 62.14 111.495 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.98 -37.13 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.291 0.636 . . . . 74.43 109.827 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -66.96 -28.29 68.16 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 114.862 -1.063 . . . . 73.01 110.968 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 -13.65 47.08 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.855 1.262 . . . . 73.02 110.491 -174.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.15 123.9 19.78 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.839 0.856 . . . . 72.25 112.601 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.53 ' HB2' ' HB2' ' A' ' 100' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 106.608 -1.627 . . . . 63.52 106.608 161.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 108.885 -0.784 . . . . 63.22 108.885 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.0 mt -72.17 160.6 32.17 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.662 0.785 . . . . 74.42 111.148 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.43 115.0 11.17 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 123.634 0.774 . . . . 60.33 110.89 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.47 -32.38 73.96 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.986 0.914 . . . . 74.33 110.825 -177.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -71.72 -40.17 69.64 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.612 -0.722 . . . . 73.24 110.985 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -70.72 -30.58 67.16 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.942 -177.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.7 p -85.82 -51.73 6.21 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.403 0.681 . . . . 62.41 111.621 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.0 mtm -81.29 -52.65 7.08 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.72 0.408 . . . . 52.44 111.702 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 82.7 p -96.6 -1.48 46.81 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.582 0.353 . . . . 63.02 111.525 -174.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 94.53 -43.02 2.37 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 116.258 -0.428 . . . . 52.24 113.88 169.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -128.11 161.6 28.86 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 117.098 0.449 . . . . 61.1 110.962 -175.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 49.5 t -121.05 121.95 39.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.411 1.085 . . . . 64.51 108.731 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -78.82 -28.44 44.43 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.25 0.62 . . . . 74.01 111.896 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -72.66 -41.78 65.04 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.087 0.555 . . . . 73.31 111.171 -175.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.79 -103.23 0.8 Allowed Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.732 -0.667 . . . . 64.44 112.495 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.9 t -73.69 -21.12 60.34 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.708 0.803 . . . . 61.13 111.273 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -88.23 -0.75 57.47 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.723 0.809 . . . . 73.12 111.457 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.47 141.81 37.97 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.273 0.629 . . . . 64.01 109.97 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 20.4 pm0 -97.71 -12.84 21.88 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.336 0.655 . . . . 73.01 111.517 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.56 150.96 20.54 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.912 0.885 . . . . 74.34 110.543 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.2 127.37 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.978 0.911 . . . . 64.34 111.279 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -93.04 94.65 8.99 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.331 -0.618 . . . . 74.53 109.331 170.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 108.384 -0.969 . . . . 71.12 108.384 173.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 110.24 -0.282 . . . . 73.2 110.24 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 127' ' ' GLU . 72.2 mmtt 70.82 -9.29 0.84 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.489 1.515 . . . . 52.24 114.162 166.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.4 p -72.71 -10.84 60.26 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.872 0.869 . . . . 53.4 111.806 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.11 149.7 46.18 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.739 1.215 . . . . 71.04 108.642 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 122' ' ' ALA . 82.0 mt -75.55 159.15 31.57 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.685 0.794 . . . . 63.21 111.492 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 38.0 t -81.81 122.7 28.04 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.568 -1.197 . . . . 72.24 109.841 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.81 -38.79 89.44 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.56 0.744 . . . . 62.11 111.652 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.69 83.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.896 0.878 . . . . 70.43 110.848 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -70.44 -40.67 73.64 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.694 0.798 . . . . 63.24 111.307 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -71.21 -39.65 71.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.512 0.325 . . . . 60.14 111.71 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -90.63 -51.12 5.55 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.047 0.539 . . . . 74.54 111.745 -174.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.0 m -111.65 -16.56 13.21 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.299 0.64 . . . . 74.44 112.359 -169.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 75.08 -46.88 0.6 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 126.189 1.796 . . . . 75.13 111.912 -173.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.23 112.86 7.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.445 0.698 . . . . 53.11 111.17 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 51.8 t -99.33 126.79 45.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.127 0.971 . . . . 64.3 109.437 176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.1 t -65.96 -38.71 89.27 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.856 0.862 . . . . 64.2 111.774 -176.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -73.56 -30.87 63.32 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.869 0.468 . . . . 74.23 111.019 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.63 -119.51 10.15 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 116.05 -0.523 . . . . 74.54 112.764 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.35 -7.45 58.36 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.017 0.527 . . . . 74.34 111.747 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -91.41 1.56 57.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.179 0.592 . . . . 74.52 110.9 173.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.6 t -74.34 122.82 23.51 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.107 0.963 . . . . 72.52 109.807 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.457 ' HD3' ' H ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -73.2 -25.82 60.92 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.569 0.348 . . . . 73.52 111.58 -178.908 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.34 158.96 18.27 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.944 0.497 . . . . 70.22 111.208 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.455 ' HB3' HD23 ' A' ' 103' ' ' LEU . . . -77.7 138.17 38.91 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.287 1.035 . . . . 52.33 112.943 -168.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -105.46 43.87 1.08 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.732 0.813 . . . . 63.45 110.177 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.14 169.19 13.9 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 115.412 -0.813 . . . . 64.4 111.917 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.26 -23.87 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 123.255 0.622 . . . . 70.13 111.095 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -66.31 -31.43 72.23 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.623 0.769 . . . . 74.44 110.888 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 100' ' ' LYS . 49.7 mt-10 -92.39 -24.96 18.71 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.742 0.817 . . . . 63.31 111.075 174.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 43.0 tp -70.38 114.26 8.33 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.208 0.527 . . . . 73.12 110.898 -174.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 . . . . . 0 C--O 1.24 0.58 0 C-N-CA 124.574 1.149 . . . . 71.25 108.828 179.432 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.008 -0.738 . . . . 74.24 109.008 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.84 152.39 44.61 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.329 0.651 . . . . 74.33 111.812 -177.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 15.0 t -84.66 115.43 22.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.84 0.856 . . . . 75.55 109.294 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.16 -48.43 81.61 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.112 0.965 . . . . 73.14 110.552 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -70.78 -40.88 72.33 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.108 -0.951 . . . . 73.41 111.45 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -69.56 -25.98 64.26 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 122.209 0.204 . . . . 61.35 110.858 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.8 p -86.78 -42.81 13.01 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.193 0.597 . . . . 62.54 111.693 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 59.8 mtm -85.15 -54.24 4.75 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.023 0.379 . . . . 63.23 112.023 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 62.7 p -96.26 -18.52 19.97 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.957 0.503 . . . . 62.52 110.7 -173.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 98.37 -23.7 35.06 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 115.94 -0.573 . . . . 61.52 113.035 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -124.87 132.24 53.34 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.099 0.559 . . . . 63.11 110.864 -171.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 35.4 t -110.98 122.84 48.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.488 1.115 . . . . 65.11 108.816 175.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.77 -30.72 69.38 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.781 0.832 . . . . 74.34 112.214 -174.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -73.19 -40.26 64.92 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.321 0.648 . . . . 74.24 110.768 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.04 -101.92 0.47 Allowed Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.584 -0.735 . . . . 41.44 112.706 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.7 p -81.29 -7.19 59.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.733 0.813 . . . . 72.32 111.918 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -96.3 -4.56 41.93 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.51 0.724 . . . . 72.31 111.132 173.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 53.1 t -79.49 117.22 20.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.196 0.598 . . . . 51.11 110.127 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.42 -18.12 60.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.321 0.648 . . . . 75.11 111.453 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -81.13 149.15 29.28 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.967 0.907 . . . . 73.23 111.854 -177.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.86 112.71 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.49 1.116 . . . . 60.12 110.725 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -73.37 93.02 1.88 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.672 0.748 . . . . 64.35 109.562 170.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 57.9 tptt . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 114.086 -1.415 . . . . 75.41 110.299 -176.588 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 CA--C 1.544 0.717 0 N-CA-C 109.159 -0.682 . . . . 75.02 109.159 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 128' ' ' LEU . 54.0 mtmt 69.55 9.0 7.05 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.538 1.535 . . . . 64.21 113.548 174.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -73.63 -16.33 61.23 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.947 0.499 . . . . 74.54 111.115 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.04 158.02 45.42 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.421 1.089 . . . . 71.42 108.958 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.3 mt -76.79 151.78 35.83 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.973 0.509 . . . . 74.35 111.072 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 25.2 t -77.45 122.11 24.75 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.245 1.018 . . . . 54.01 108.921 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 109' ' ' ARG . 28.2 t70 -65.4 -42.8 92.22 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.839 0.456 . . . . 54.23 110.816 -176.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.27 65.44 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.329 1.052 . . . . 42.44 112.039 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -68.25 -40.86 81.83 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.58 0.752 . . . . 71.02 110.557 176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -73.4 -24.29 60.27 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 116.385 -0.37 . . . . 74.22 111.483 -176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 30.9 mmt180 -89.86 -46.66 8.4 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.063 0.545 . . . . 61.44 111.01 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 t -107.19 -7.62 16.74 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.901 0.704 . . . . 75.22 112.901 -168.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 67.85 -71.76 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.631 1.172 . . . . 73.33 109.934 -171.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.01 101.62 5.32 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.235 0.614 . . . . 74.3 109.349 172.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 41.2 t -80.75 125.74 30.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.519 0.728 . . . . 73.44 109.546 177.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.7 t -64.68 -32.05 73.54 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.232 1.013 . . . . 64.4 112.193 -172.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.646 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 72.4 m-85 -63.32 -44.17 95.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.931 0.492 . . . . 75.44 111.262 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.32 -112.07 4.69 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 111.546 -0.622 . . . . 73.25 111.546 -172.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -80.44 -8.13 59.42 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.189 0.596 . . . . 75.51 111.712 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -76.56 -11.88 59.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.286 0.634 . . . . 71.32 111.442 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.646 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 63.9 m -72.62 131.35 42.32 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 123.004 0.521 . . . . 70.12 110.217 169.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -77.71 -31.51 52.35 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.235 -0.654 . . . . 75.42 109.235 168.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -79.74 159.63 26.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.998 0.919 . . . . 72.4 111.531 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 127' ' ' GLU . . . -76.17 142.16 41.65 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.57 1.148 . . . . 53.11 112.049 -173.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -104.99 29.25 6.48 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.129 0.972 . . . . 75.41 109.796 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.43 148.95 9.78 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 115.568 -0.742 . . . . 64.42 111.566 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 67.3 t -66.42 -33.98 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.645 0.778 . . . . 64.03 110.547 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -65.65 -23.63 66.85 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.93 -0.577 . . . . 63.14 111.54 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.434 ' HB2' ' HB1' ' A' ' 122' ' ' ALA . 35.3 mt-10 -87.96 -10.39 50.65 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.685 0.794 . . . . 74.45 111.801 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.422 ' HA ' ' O ' ' A' ' 100' ' ' LYS . 62.2 mt -64.47 114.2 4.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.079 0.552 . . . . 43.41 111.238 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 124.223 1.009 . . . . 73.52 110.084 -178.253 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 109.039 -0.726 . . . . 70.34 109.039 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.35 155.08 38.35 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.179 0.592 . . . . 55.04 110.889 176.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' CYS . . . . . 0.431 ' HG ' ' HG ' ' A' ' 156' ' ' CYS . 13.9 t -86.0 113.94 22.49 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.569 -0.9 . . . . 72.42 108.569 177.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.89 -46.6 74.41 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.485 0.714 . . . . 72.42 111.292 -173.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -62.26 -44.77 95.79 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.601 0.76 . . . . 63.14 111.022 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -70.66 -23.05 62.44 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.293 -0.412 . . . . 75.43 110.711 -175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 56.8 m -80.13 -50.21 10.62 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.692 0.397 . . . . 61.52 111.107 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.2 mtm -76.46 -51.27 12.1 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.262 0.625 . . . . 74.22 112.127 -170.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 59.8 p -97.03 -21.18 17.55 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.94 0.496 . . . . 73.41 110.855 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 89.09 1.79 78.74 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 116.174 -0.466 . . . . 72.3 112.596 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -133.43 129.59 37.51 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.927 0.891 . . . . 71.02 109.615 -173.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' CYS . . . . . 0.431 ' HG ' ' HG ' ' A' ' 147' ' ' CYS . 50.8 t -104.41 122.7 46.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.632 0.773 . . . . 74.25 110.132 177.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -23.82 62.0 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.362 1.065 . . . . 72.33 112.656 -178.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -80.26 -40.75 26.34 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.103 0.561 . . . . 75.41 110.335 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.43 -102.86 0.79 Allowed Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.793 -0.64 . . . . 45.32 113.595 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.4 p -79.1 -22.79 44.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.883 0.873 . . . . 71.53 111.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -78.19 -12.38 59.99 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.546 0.738 . . . . 70.54 110.747 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 164' ' ' PHE . 35.1 t -73.34 118.55 16.42 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.583 0.753 . . . . 64.14 110.748 -176.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -86.33 3.03 45.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.646 0.778 . . . . 62.25 110.843 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' PHE . . . . . 0.454 ' HB2' ' SG ' ' A' ' 162' ' ' CYS . 81.3 m-85 -101.86 151.03 22.56 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.138 0.975 . . . . 62.43 111.519 -171.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.15 112.79 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 124.847 1.259 . . . . 60.22 111.244 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -87.36 95.65 10.08 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.328 0.651 . . . . 74.51 110.167 174.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt . . . . . 0 N--CA 1.476 0.847 0 C-N-CA 123.26 0.624 . . . . 74.45 109.756 172.412 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.413 ' HB2' HG21 ' A' ' 101' ' ' THR . 62.7 p . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.508 0.194 . . . . 72.14 110.921 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -69.15 153.31 43.92 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.024 0.93 . . . . 62.4 110.306 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.31 -16.58 62.46 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.888 0.699 . . . . 65.41 112.888 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 120' ' ' ARG . 67.3 m-85 -90.47 125.77 35.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.089 0.556 . . . . 72.11 111.746 -177.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 127' ' ' GLU . 67.7 mmtt 68.98 10.94 8.19 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.065 1.746 . . . . 70.13 114.067 161.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 96' ' ' SER . 38.1 p -87.09 -6.88 58.53 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.463 0.705 . . . . 62.12 111.66 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.72 155.71 41.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.279 1.032 . . . . 71.43 109.391 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.21 158.0 33.66 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.687 0.795 . . . . 73.25 111.384 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 46.6 t -87.19 112.88 22.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.952 0.901 . . . . 74.13 110.886 -176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.42 -43.04 93.14 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.065 0.946 . . . . 74.4 111.333 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.4 87.3 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.821 0.849 . . . . 63.52 111.467 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.33 -36.59 66.23 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.006 0.522 . . . . 75.11 111.015 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -74.36 -45.05 49.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.714 0.406 . . . . 72.14 111.457 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -90.56 -50.48 5.91 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.301 0.64 . . . . 72.33 112.017 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.3 t -100.17 -16.22 17.87 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.196 0.599 . . . . 74.33 111.861 -173.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 75.14 -50.88 0.66 Allowed 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 125.75 1.62 . . . . 71.24 111.71 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.41 133.55 48.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.527 0.731 . . . . 71.05 110.655 173.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.5 t -118.95 128.86 54.8 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.193 -1.04 . . . . 53.14 108.193 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 m -60.71 -33.86 73.52 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.082 0.953 . . . . 64.34 112.891 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -92.78 -18.71 22.57 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.341 0.656 . . . . 70.23 111.683 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.77 -122.85 12.37 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-O 119.879 -0.4 . . . . 52.33 112.633 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.36 -11.94 59.98 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.501 0.721 . . . . 72.34 111.771 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -90.84 11.01 23.9 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.445 0.698 . . . . 71.23 111.292 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 38.6 t -68.45 125.75 27.45 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.036 0.934 . . . . 73.41 110.724 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 99' ' ' PHE . 38.8 ptt180 -68.68 -9.69 51.77 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.455 0.702 . . . . 72.11 111.653 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -104.21 159.94 15.28 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.361 0.664 . . . . 73.11 110.948 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.55 131.89 35.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.483 1.113 . . . . 64.31 111.677 -174.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -100.49 31.22 3.54 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.845 0.858 . . . . 73.2 110.705 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 166.77 168.8 29.5 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 111.699 -0.561 . . . . 64.24 111.699 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.12 -30.58 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.524 0.73 . . . . 71.22 110.831 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -71.23 -34.92 71.23 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.36 0.664 . . . . 74.33 110.251 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 100' ' ' LYS . 17.7 mm-40 -75.42 -24.89 57.17 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.263 -0.88 . . . . 74.01 110.753 174.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.7 tp -80.29 113.14 18.25 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.421 0.688 . . . . 71.11 110.789 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.35 79.05 1.64 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 107.45 -1.315 . . . . 74.42 107.45 168.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.04 160.38 81.83 Favored Pre-proline 0 CA--C 1.554 1.103 0 CA-C-N 115.685 -0.689 . . . . 75.15 111.314 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.57 106.82 0.23 Allowed 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.416 2.077 . . . . 64.1 111.033 171.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 21.8 mmt -71.23 96.3 1.38 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.777 0.831 . . . . 61.32 110.761 -171.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -78.61 140.79 59.72 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.338 0.655 . . . . 74.21 109.585 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.81 131.8 35.08 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 123.085 2.523 . . . . 55.33 113.562 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -87.22 -2.33 58.55 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.026 0.93 . . . . 73.32 111.346 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.69 79.7 0.34 Allowed Glycine 0 C--N 1.352 1.47 0 O-C-N 123.685 0.616 . . . . 75.22 112.804 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -132.91 -31.26 1.31 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.801 0.84 . . . . 75.21 109.962 -176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -66.2 149.97 49.51 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.009 0.924 . . . . 72.12 110.943 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -73.59 111.91 13.98 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 124.254 1.022 . . . . 74.13 110.809 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -95.56 99.52 0.1 Allowed 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.403 2.735 . . . . 72.04 111.753 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.543 ' HD3' ' HA ' ' A' ' 144' ' ' THR . 15.4 ptpt -92.56 113.59 25.91 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.484 0.659 . . . . 74.11 112.31 -175.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -74.42 -46.79 37.76 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 107.898 -1.149 . . . . 74.43 107.898 163.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -84.24 110.76 18.8 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.937 -1.134 . . . . 73.53 107.937 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.543 ' HA ' ' HD3' ' A' ' 141' ' ' LYS . 67.3 p -104.07 -60.5 1.57 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.234 0.457 . . . . 63.35 112.234 -168.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.6 t -97.06 155.19 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 124.176 0.99 . . . . 43.23 108.61 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.466 HD23 ' HB ' ' A' ' 165' ' ' ILE . 83.5 mt -65.1 151.08 46.94 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.622 0.646 . . . . 73.25 111.867 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 9.8 t -87.98 113.1 23.29 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.636 0.774 . . . . 61.44 109.131 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -74.98 -37.75 61.83 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.197 0.599 . . . . 74.54 111.082 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -64.21 -42.0 96.8 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.488 0.715 . . . . 74.21 110.729 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -69.15 -24.22 64.06 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.507 -0.769 . . . . 71.52 110.705 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.8 t -85.17 -31.98 22.94 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.317 0.647 . . . . 75.1 111.614 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.2 mtm -90.24 -54.11 4.16 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.797 0.439 . . . . 74.24 111.598 -175.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 68.3 p -98.18 -10.08 24.69 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.203 0.601 . . . . 61.31 111.513 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 79.64 3.3 88.93 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 116.206 -0.452 . . . . 70.1 113.003 -176.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -137.68 134.95 36.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.329 0.651 . . . . 73.44 110.727 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 32.0 t -121.41 122.1 39.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.739 1.215 . . . . 65.43 108.107 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -70.14 -25.75 63.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.294 0.638 . . . . 73.34 112.593 -169.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -74.22 -35.97 63.92 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.212 0.605 . . . . 74.44 111.117 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.39 -109.07 2.71 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-N 115.833 -0.621 . . . . 71.53 112.434 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.9 p -74.14 -25.11 59.56 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.251 0.62 . . . . 72.41 111.137 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -72.94 -16.78 61.53 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.926 0.89 . . . . 72.33 111.624 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.11 125.91 25.43 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.651 0.781 . . . . 73.12 111.441 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -82.07 3.67 25.95 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.809 0.844 . . . . 74.31 111.183 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -117.95 147.17 43.42 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.154 0.982 . . . . 73.5 110.98 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.466 ' HB ' HD23 ' A' ' 146' ' ' LEU . 59.5 mt -71.76 117.35 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.795 1.238 . . . . 62.31 110.989 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -78.62 94.28 5.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.04 0.536 . . . . 70.11 109.679 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -108.17 124.86 50.9 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.197 -0.911 . . . . 74.44 109.067 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 68.3 mt -76.71 98.54 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 N-CA-C 108.763 -0.829 . . . . 75.22 108.763 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.45 125.02 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.845 0.858 . . . . 73.04 110.018 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -75.35 154.98 36.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.463 0.705 . . . . 74.13 110.982 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 117.67 134.44 5.16 Favored Glycine 0 C--N 1.342 0.862 0 N-CA-C 111.135 -0.786 . . . . 65.42 111.135 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -114.56 136.77 52.67 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.416 0.686 . . . . 74.52 110.548 -175.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 C-N-CA 123.791 0.836 . . . . 43.41 109.268 173.425 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.119 -0.326 . . . . 74.14 110.119 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -76.85 152.92 35.26 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.239 0.616 . . . . 74.32 110.324 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.51 19.09 8.89 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.242 1.017 . . . . 73.24 111.891 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -132.17 89.03 2.61 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.44 -0.948 . . . . 73.0 108.44 -173.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt 66.23 16.04 10.3 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.85 1.26 . . . . 75.43 111.525 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.4 p -80.68 -20.11 43.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.46 1.104 . . . . 72.32 110.271 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.51 165.41 24.94 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.62 1.168 . . . . 64.51 108.846 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.76 157.98 28.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.424 0.631 . . . . 74.15 111.356 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.0 116.32 20.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 124.529 1.132 . . . . 73.25 109.175 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.517 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 27.6 t70 -68.39 -35.16 77.27 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.07 0.948 . . . . 71.23 111.125 -174.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.05 -24.45 64.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.548 0.739 . . . . 51.13 111.438 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -86.04 -34.24 20.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.054 0.542 . . . . 75.05 110.979 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -84.86 -34.01 22.71 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 111.605 0.224 . . . . 73.13 111.605 -177.175 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -91.09 -50.8 5.65 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.685 0.394 . . . . 73.2 111.183 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.7 m -104.3 -3.59 24.02 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.125 0.57 . . . . 71.12 112.396 -170.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 69.38 -66.4 0.26 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 125.55 1.54 . . . . 51.55 112.245 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.59 113.34 6.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 122.865 0.466 . . . . 63.44 110.147 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 51.0 t -70.22 140.12 52.4 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.398 0.679 . . . . 52.14 110.749 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.5 m -65.22 -50.2 66.75 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.915 0.886 . . . . 51.22 111.763 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -83.79 -18.78 36.55 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.176 0.591 . . . . 72.45 111.155 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.08 -119.32 6.71 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.418 0.449 . . . . 71.12 112.204 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -76.81 -17.87 58.75 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.297 0.639 . . . . 74.33 111.184 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -83.15 6.7 18.35 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.583 0.753 . . . . 62.41 111.572 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 44.8 t -67.72 133.39 49.2 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.731 0.813 . . . . 55.13 110.899 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -92.8 10.64 30.06 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.581 0.753 . . . . 72.41 111.632 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -132.36 146.02 51.67 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.402 0.681 . . . . 60.35 110.274 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.7 138.18 57.8 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.626 1.171 . . . . 60.53 113.338 -168.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -97.67 27.94 4.1 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.57 0.748 . . . . 74.25 110.468 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.54 -178.44 24.21 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 115.759 -0.655 . . . . 70.11 111.533 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.47 ' HA ' ' HB3' ' A' ' 128' ' ' LEU . 12.8 p -69.39 -22.36 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.449 0.7 . . . . 73.32 111.963 -175.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -62.94 -37.75 88.31 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.516 0.726 . . . . 61.44 111.498 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -94.9 -22.09 18.22 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.378 0.671 . . . . 53.54 111.191 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.47 ' HB3' ' HA ' ' A' ' 125' ' ' VAL . 48.9 tp -72.31 110.06 6.48 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.044 0.449 . . . . 72.1 111.381 -171.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.79 88.23 2.89 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 106.6 -1.63 . . . . 62.51 106.6 165.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.17 155.71 54.34 Favored Pre-proline 0 CA--C 1.554 1.132 0 C-N-CA 124.201 1.001 . . . . 70.34 111.656 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.91 113.79 1.33 Allowed 'Trans proline' 0 C--N 1.385 2.497 0 C-N-CA 123.071 2.514 . . . . 53.21 112.621 178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 47.0 mtm -113.97 132.83 55.83 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.292 1.037 . . . . 65.44 109.786 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -71.29 149.09 94.03 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.864 0.866 . . . . 64.13 110.396 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.92 128.39 25.32 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.829 2.353 . . . . 73.43 111.898 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -74.05 99.3 3.29 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.566 0.746 . . . . 75.01 110.448 -176.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.87 111.84 0.9 Allowed Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.726 -0.67 . . . . 50.32 111.864 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -86.74 152.54 22.43 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.126 0.488 . . . . 73.45 110.635 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -118.3 95.14 4.75 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.728 -1.212 . . . . 64.34 107.728 171.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -147.41 85.32 6.81 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 123.48 0.712 . . . . 52.41 109.735 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -85.74 -4.45 9.04 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.928 2.418 . . . . 73.15 112.63 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' A' ' 144' ' ' THR . 87.6 tttt -75.46 101.14 4.72 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.097 0.959 . . . . 62.13 110.087 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -79.4 -48.78 13.41 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.921 0.488 . . . . 74.14 110.251 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -77.27 97.81 4.96 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.022 -1.103 . . . . 73.52 108.022 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.474 ' HA ' ' HE2' ' A' ' 141' ' ' LYS . 40.8 p -96.86 -65.04 0.99 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.138 0.575 . . . . 64.31 112.414 -169.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.92 152.34 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.808 0.843 . . . . 65.34 109.511 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.07 135.82 51.39 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.879 0.472 . . . . 63.03 109.941 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 41.8 t -75.22 113.65 12.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.484 0.714 . . . . 54.54 109.973 -174.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.23 -37.12 85.98 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.84 0.856 . . . . 73.2 110.851 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -65.11 -44.21 89.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.378 -0.828 . . . . 73.55 110.725 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -76.16 -23.25 54.76 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 115.684 -0.689 . . . . 75.23 110.666 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.49 ' HA ' ' HB ' ' A' ' 169' ' ' VAL . 49.7 m -84.37 -39.66 18.81 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.105 0.562 . . . . 65.23 112.156 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 67.2 mtm -90.86 -53.4 4.41 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.967 0.507 . . . . 75.45 111.717 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 37.7 p -97.62 -18.82 18.68 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.556 0.342 . . . . 70.01 110.706 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 82.22 5.74 89.38 Favored Glycine 0 C--N 1.351 1.361 0 CA-C-N 116.1 -0.5 . . . . 33.14 113.357 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -137.62 133.59 34.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.861 0.865 . . . . 73.4 109.509 -174.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 36.6 t -119.12 127.41 53.33 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.266 1.026 . . . . 74.23 108.256 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -61.3 -32.8 72.65 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.653 0.781 . . . . 70.22 112.727 -171.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' TYR . . . . . 0.535 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 66.1 m-85 -83.29 -28.52 29.05 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.21 0.604 . . . . 64.44 110.823 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.44 -110.47 3.51 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.706 0.629 . . . . 60.35 112.361 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 76.8 p -71.31 -20.98 62.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.671 0.788 . . . . 73.13 111.328 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.535 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 84.6 mtt180 -82.48 -5.52 58.75 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.86 0.864 . . . . 65.3 111.851 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 53.5 t -66.97 130.29 42.65 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.553 0.741 . . . . 74.44 110.31 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -86.71 5.0 38.37 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.74 0.816 . . . . 73.4 111.336 -178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -111.86 149.74 31.39 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.011 0.924 . . . . 74.42 110.695 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.15 121.34 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.722 1.209 . . . . 74.34 111.531 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -94.31 94.92 8.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.008 0.523 . . . . 73.53 109.742 171.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -96.55 140.14 31.61 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 108.262 -1.014 . . . . 74.44 108.262 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 48.9 mm -68.25 94.71 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.509 -0.552 . . . . 73.52 109.509 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' A' ' 151' ' ' SER . 59.2 t -118.67 109.35 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.066 0.946 . . . . 62.14 109.567 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -82.1 -32.55 30.16 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.8 0.84 . . . . 64.1 109.479 174.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -177.54 -167.39 35.69 Favored Glycine 0 C--N 1.344 0.997 0 CA-C-N 115.133 -0.939 . . . . 64.43 111.836 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -103.98 148.01 26.7 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.36 0.664 . . . . 72.03 109.972 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 C-N-CA 123.596 0.759 . . . . 72.23 109.146 -178.824 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.024 -0.361 . . . . 52.32 110.024 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -85.18 150.53 24.75 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.409 0.684 . . . . 71.21 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.23 87.54 3.08 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.415 0.686 . . . . 73.13 110.556 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -127.51 108.62 10.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 107.375 -1.343 . . . . 61.5 107.375 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.492 ' HD2' ' HB3' ' A' ' 127' ' ' GLU . 9.7 mtmp? 61.4 24.21 14.35 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.461 1.105 . . . . 73.22 111.7 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.6 p -77.4 -19.82 55.59 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.074 0.949 . . . . 74.1 110.473 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.17 167.1 22.83 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.838 1.255 . . . . 62.02 108.667 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.65 147.55 33.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.014 0.526 . . . . 74.15 110.587 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 29.0 t -63.08 128.35 35.45 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.476 1.11 . . . . 52.4 109.943 174.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.37 -47.97 82.11 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.657 0.783 . . . . 73.52 111.525 -174.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.14 -23.9 64.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.346 0.658 . . . . 75.44 111.722 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -76.49 -42.8 42.2 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.083 0.553 . . . . 74.13 110.71 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -77.65 -27.46 51.01 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 111.6 0.222 . . . . 71.34 111.6 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -93.19 -47.78 6.78 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.994 0.368 . . . . 74.55 111.994 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 t -113.69 -17.73 12.05 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.205 0.602 . . . . 65.13 112.264 -167.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.2 mp0 59.41 28.69 18.12 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.236 1.014 . . . . 70.35 110.93 -171.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -141.45 101.81 4.07 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.029 0.932 . . . . 65.13 109.457 -176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.8 t -113.23 126.95 55.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.406 1.083 . . . . 74.03 109.737 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.5 t -69.08 -34.01 74.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.025 0.93 . . . . 62.31 111.836 -175.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -74.4 -38.2 63.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.899 0.48 . . . . 64.12 110.944 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 63.68 -103.02 0.62 Allowed Glycine 0 C--N 1.347 1.155 0 O-C-N 123.715 0.635 . . . . 74.41 112.986 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.21 -29.75 65.53 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.559 0.744 . . . . 72.31 110.939 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -87.99 11.75 15.12 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.984 0.914 . . . . 74.4 111.954 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 36.7 t -77.59 127.56 32.69 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.716 0.807 . . . . 73.33 110.153 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -70.02 -26.1 63.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.075 0.55 . . . . 71.21 111.714 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -105.0 160.24 15.19 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.312 0.645 . . . . 74.0 111.457 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.91 139.63 48.86 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.413 -1.267 . . . . 71.22 113.381 -166.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -105.82 30.85 5.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.331 1.052 . . . . 74.05 109.979 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.0 163.14 26.28 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 116.097 -0.501 . . . . 65.4 112.659 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.14 -26.95 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 C-N-CA 123.912 0.885 . . . . 73.11 111.309 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -74.45 -26.84 60.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.941 0.896 . . . . 73.15 110.97 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.492 ' HB3' ' HD2' ' A' ' 100' ' ' LYS . 54.7 mt-10 -83.75 -19.69 34.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.71 0.804 . . . . 73.32 111.857 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.8 mt -66.47 115.7 6.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.312 0.645 . . . . 75.0 112.117 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -112.98 98.66 7.31 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 106.524 -1.658 . . . . 64.11 106.524 163.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 pp -56.79 153.09 23.76 Favored Pre-proline 0 CA--C 1.555 1.149 0 O-C-N 124.013 0.82 . . . . 75.34 111.318 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -58.43 92.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.683 2.255 . . . . 75.23 112.356 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 33.1 mtm -78.41 96.44 5.36 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.187 0.995 . . . . 75.43 109.908 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -155.78 156.04 30.16 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 115.153 -0.93 . . . . 73.21 109.377 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.37 144.2 99.5 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.36 2.04 . . . . 61.3 111.666 171.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -67.27 -29.74 69.43 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.989 0.515 . . . . 72.31 110.767 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -89.53 61.95 3.48 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.586 -0.734 . . . . 74.45 112.348 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -64.54 -62.95 1.27 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.263 0.625 . . . . 52.12 109.412 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -88.68 84.11 6.72 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 107.854 -1.165 . . . . 65.42 107.854 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -73.38 113.96 27.12 Favored Pre-proline 0 CA--C 1.553 1.093 0 CA-C-N 115.183 -0.917 . . . . 65.32 109.832 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -80.89 -14.51 11.08 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.787 2.325 . . . . 44.11 113.244 -176.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' A' ' 144' ' ' THR . 86.9 tttt -85.54 85.02 7.45 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.639 0.776 . . . . 73.53 109.938 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -73.96 -42.39 60.59 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.209 -0.905 . . . . 70.12 109.246 173.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -77.39 97.47 4.94 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.783 -1.098 . . . . 62.23 108.65 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.512 ' HA ' ' HE2' ' A' ' 141' ' ' LYS . 73.4 p -102.91 -43.51 5.51 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.901 0.481 . . . . 74.34 110.587 -178.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 64.8 t -82.83 146.72 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.397 0.679 . . . . 70.52 109.967 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 61.6 mt -72.23 159.95 33.23 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.769 0.828 . . . . 44.22 111.21 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 38.5 t -89.32 114.57 25.98 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.484 0.714 . . . . 65.52 109.922 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.35 -44.24 46.16 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.343 0.657 . . . . 74.15 110.469 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -55.47 -40.27 71.44 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.966 0.907 . . . . 71.01 112.075 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -69.78 -44.59 69.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.303 0.641 . . . . 70.12 110.432 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.4 m -69.19 -36.35 77.22 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.898 -0.592 . . . . 65.3 112.089 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 61.8 mtm -71.45 -48.85 46.81 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.158 0.429 . . . . 70.01 112.158 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 67.3 p -97.14 -43.51 7.35 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.747 0.419 . . . . 53.53 111.167 -170.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.548 ' HA2' HG21 ' A' ' 169' ' ' VAL . . . 134.56 -35.6 2.19 Favored Glycine 0 C--N 1.341 0.855 0 N-CA-C 111.233 -0.747 . . . . 73.15 111.233 -174.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -136.09 142.5 44.32 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.08 0.952 . . . . 44.33 109.477 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 45.1 t -85.58 123.28 30.81 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.601 0.761 . . . . 73.0 109.795 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -64.11 -24.62 67.76 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.681 0.792 . . . . 75.14 112.212 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -73.97 -38.23 64.24 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.438 0.695 . . . . 75.2 110.282 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.11 -117.1 9.21 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-N 115.747 -0.661 . . . . 61.42 112.785 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 58.0 p -76.92 -11.14 59.77 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.153 0.581 . . . . 71.35 111.464 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -93.37 7.44 44.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.714 0.805 . . . . 75.31 111.289 174.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 52.3 t -83.5 125.63 31.95 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.335 0.654 . . . . 71.01 109.857 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -91.38 16.33 10.37 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.605 0.762 . . . . 65.51 111.185 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -124.53 148.61 47.66 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.708 0.803 . . . . 64.41 110.64 -175.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.74 120.63 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.506 1.122 . . . . 72.4 111.503 -175.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -83.59 95.07 8.22 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.725 -0.472 . . . . 75.24 109.725 173.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -86.29 134.19 33.76 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.069 -0.715 . . . . 63.13 109.069 171.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 51.4 mm -65.44 128.82 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 123.675 0.609 . . . . 71.12 109.407 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.548 HG21 ' HA2' ' A' ' 154' ' ' GLY . 61.3 t -58.16 109.47 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 124.257 0.973 . . . . 64.51 111.207 -170.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -115.1 -54.26 2.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.242 1.417 . . . . 73.24 109.374 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.09 -41.93 0.88 Allowed Glycine 0 C--N 1.341 0.86 0 CA-C-N 114.938 -1.028 . . . . 74.43 110.66 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -79.35 110.74 14.92 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.289 -0.634 . . . . 74.23 109.289 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 C-N-CA 123.833 0.853 . . . . 64.35 108.804 179.597 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.785 -0.45 . . . . 74.12 109.785 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.82 150.85 27.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.136 0.574 . . . . 74.05 110.231 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.48 -20.41 62.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.72 0.808 . . . . 31.43 110.888 172.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HB3' ' HG3' ' A' ' 100' ' ' LYS . 3.1 m-85 -67.29 147.38 53.06 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.902 0.881 . . . . 72.31 110.528 169.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.454 ' HG3' ' HB3' ' A' ' 99' ' ' PHE . 94.5 mttt 68.57 35.59 3.14 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 113.949 -1.478 . . . . 65.3 112.066 162.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.9 p -84.06 -5.34 59.22 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 115.206 -0.906 . . . . 64.11 111.387 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -144.29 155.99 44.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.542 1.137 . . . . 73.44 108.822 173.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.56 150.13 43.41 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.706 0.802 . . . . 75.24 112.7 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 40.5 t -80.8 122.47 27.21 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.292 -1.322 . . . . 73.05 109.374 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.433 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 31.3 t70 -65.19 -40.61 94.47 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.746 0.654 . . . . 53.35 110.226 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.3 -26.57 67.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.501 0.72 . . . . 54.44 111.992 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -77.33 -50.97 11.67 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.735 0.414 . . . . 61.33 110.31 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.433 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 14.0 ptmm? -76.41 -17.88 59.12 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.577 0.584 . . . . 75.33 112.577 -170.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -93.33 -39.99 10.65 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.946 0.498 . . . . 60.55 112.188 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.1 t -111.51 -9.04 14.22 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.095 0.776 . . . . 51.04 113.095 -168.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 65.86 -72.06 0.08 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 125.233 1.413 . . . . 73.14 110.284 -169.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.18 95.53 3.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.161 0.584 . . . . 75.33 109.778 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 41.4 t -76.81 125.01 28.56 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.9 -0.778 . . . . 63.11 108.9 175.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.4 p -70.09 -26.69 64.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.076 0.951 . . . . 64.45 112.39 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.633 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 26.1 m-85 -67.94 -44.56 76.53 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.085 0.954 . . . . 64.04 110.19 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.62 -111.6 4.26 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 115.774 -0.648 . . . . 73.01 112.912 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.05 -10.28 59.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.449 0.699 . . . . 64.22 111.414 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -79.45 -6.02 56.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.359 0.663 . . . . 65.43 111.476 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 48.5 m -75.17 132.88 41.47 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.442 0.639 . . . . 72.2 111.394 174.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.408 ' H ' ' HD3' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -101.82 5.75 41.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.72 1.208 . . . . 65.34 108.975 170.805 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -116.74 158.76 23.33 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.044 1.338 . . . . 74.33 109.027 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.17 134.68 34.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.119 0.968 . . . . 72.2 113.438 -164.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -95.24 32.3 1.76 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.509 0.723 . . . . 71.35 111.006 173.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 153.17 177.11 26.39 Favored Glycine 0 C--N 1.343 0.939 0 CA-C-N 116.46 -0.337 . . . . 64.21 112.431 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.428 ' HA ' HD12 ' A' ' 128' ' ' LEU . 12.6 p -69.14 -27.69 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.644 0.778 . . . . 60.34 111.256 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -70.7 -30.6 67.2 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.776 0.831 . . . . 74.05 110.702 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -81.93 -24.41 35.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.561 0.744 . . . . 61.34 111.025 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 125' ' ' VAL . 26.5 mt -65.92 119.94 12.2 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.413 0.685 . . . . 74.5 112.315 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.61 134.11 44.06 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.463 -0.94 . . . . 75.03 108.463 166.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.9 pp -73.59 149.82 88.63 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-O 119.037 -0.506 . . . . 73.22 109.882 173.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -53.9 148.93 35.94 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 123.188 2.592 . . . . 61.3 113.746 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 132' ' ' MET . 0.6 OUTLIER -83.49 82.6 8.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.728 0.811 . . . . 75.21 110.184 -174.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -91.82 158.63 39.68 Favored Pre-proline 0 C--O 1.245 0.819 0 CA-C-N 114.653 -1.158 . . . . 73.43 108.938 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.22 134.26 55.88 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 122.69 2.26 . . . . 63.21 112.138 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -77.52 -11.08 59.82 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.179 0.592 . . . . 72.24 111.297 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.69 37.99 3.51 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-O 120.028 -0.318 . . . . 33.25 113.012 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -73.41 88.34 1.58 Allowed 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.525 -0.546 . . . . 61.32 109.525 174.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -174.53 174.47 2.72 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.242 1.417 . . . . 72.32 107.407 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -67.92 143.25 96.19 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 109.47 -0.567 . . . . 74.44 109.47 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.83 108.04 0.6 Allowed 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.701 2.268 . . . . 72.51 111.841 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.476 ' HA ' HG23 ' A' ' 144' ' ' THR . 20.7 ptmt -137.91 5.86 2.62 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.422 0.689 . . . . 65.44 111.934 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -68.71 -27.9 66.35 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.817 0.447 . . . . 74.12 110.536 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -123.47 78.14 1.56 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.266 1.027 . . . . 72.02 108.459 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.476 HG23 ' HA ' ' A' ' 141' ' ' LYS . 14.7 p -127.85 -8.69 5.52 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 115.334 -0.848 . . . . 53.44 111.212 174.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.96 143.45 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 108.862 -0.792 . . . . 62.44 108.862 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.13 157.58 36.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.146 0.578 . . . . 62.21 111.331 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 150' ' ' PHE . 28.1 t -82.12 116.71 21.82 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.606 0.762 . . . . 60.31 110.108 -175.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.97 -47.72 82.13 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.208 1.003 . . . . 71.01 110.813 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -58.08 -48.6 79.66 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.254 -0.884 . . . . 75.41 110.835 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.405 ' HB3' ' HB3' ' A' ' 147' ' ' CYS . 37.7 t80 -74.5 -25.25 59.24 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 115.1 -0.955 . . . . 74.33 111.247 -172.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.9 p -87.2 -35.88 18.31 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.749 0.42 . . . . 52.54 111.641 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 66.4 mtm -82.63 -49.03 10.27 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.839 0.456 . . . . 63.1 111.765 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.1 p -97.23 -38.37 9.72 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.016 0.436 . . . . 74.21 110.268 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 115.47 -15.21 17.66 Favored Glycine 0 C--N 1.348 1.233 0 CA-C-N 115.673 -0.694 . . . . 65.32 112.516 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -133.73 146.56 50.89 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.878 0.871 . . . . 64.31 109.477 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 50.4 t -120.45 121.4 38.42 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.892 0.877 . . . . 64.33 109.182 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -70.51 -17.06 62.95 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.774 0.829 . . . . 74.21 111.927 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -73.45 -20.86 60.6 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.294 1.038 . . . . 61.32 111.085 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.26 -131.42 41.91 Favored Glycine 0 C--N 1.353 1.503 0 O-C-N 123.998 0.811 . . . . 55.34 113.575 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 71.1 p -71.34 -22.8 61.86 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.963 0.905 . . . . 73.15 111.99 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -92.35 9.73 32.84 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.363 0.665 . . . . 73.22 112.071 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.33 128.6 36.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.795 0.838 . . . . 75.21 111.058 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -83.7 3.8 31.49 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.124 0.97 . . . . 55.55 112.196 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.85 149.14 40.52 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.073 0.949 . . . . 72.34 109.687 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 144' ' ' THR . 31.9 mt -71.54 128.08 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.807 0.843 . . . . 64.43 110.918 -176.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -90.84 95.0 9.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.366 0.667 . . . . 70.2 110.078 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.422 ' HG3' HG22 ' A' ' 165' ' ' ILE . 68.2 mttm -118.3 132.18 56.3 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.692 0.797 . . . . 73.15 109.314 171.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 58.8 mt -75.58 106.45 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.727 -0.842 . . . . 74.42 108.727 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 38.6 t -73.71 117.65 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 N-CA-C 109.073 -0.714 . . . . 74.5 109.073 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -68.58 122.94 19.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.278 0.631 . . . . 75.35 111.615 -174.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -77.7 144.71 29.33 Favored Glycine 0 C--N 1.343 0.95 0 N-CA-C 111.495 -0.642 . . . . 61.13 111.495 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 64.5 t30 66.18 16.39 10.42 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.599 1.16 . . . . 73.11 111.231 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 123.57 0.748 . . . . 74.44 110.77 -179.678 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.782 -0.451 . . . . 54.0 109.782 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -87.04 170.58 11.42 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.629 0.772 . . . . 74.43 111.463 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.52 -4.97 20.63 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.821 0.848 . . . . 52.32 110.675 171.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -89.9 133.54 34.71 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 108.78 -0.822 . . . . 74.22 108.78 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.412 ' HG3' ' HG2' ' A' ' 129' ' ' ARG . 17.0 ptpt 56.67 21.1 5.54 Favored 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 127.021 2.128 . . . . 74.25 113.451 176.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.2 p -89.4 -3.26 58.5 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.688 0.795 . . . . 74.54 112.08 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.12 159.39 40.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.063 0.945 . . . . 70.41 109.256 173.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.67 135.79 34.93 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.917 0.487 . . . . 71.02 110.898 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.39 112.83 6.19 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.435 1.094 . . . . 73.01 110.304 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.6 -39.47 91.34 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.733 0.813 . . . . 72.11 110.805 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.62 79.3 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.908 0.883 . . . . 72.25 111.753 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -68.36 -40.93 81.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.012 0.525 . . . . 75.25 110.391 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -75.54 -28.97 59.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.157 -0.474 . . . . 70.4 111.99 -174.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -93.22 -43.6 8.75 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.99 0.516 . . . . 65.42 112.013 -177.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.1 t -113.48 -5.48 13.48 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.515 0.726 . . . . 54.23 112.591 -166.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 71.6 -62.04 0.47 Allowed 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.181 1.392 . . . . 72.5 110.189 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.68 142.64 48.25 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.484 0.714 . . . . 72.11 111.083 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.2 t -107.63 130.84 54.87 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.481 1.112 . . . . 72.32 108.406 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.0 m -66.58 -31.79 72.72 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.124 0.57 . . . . 53.24 111.467 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.55 -33.45 31.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.274 0.63 . . . . 70.52 110.892 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.33 -109.26 2.8 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.744 0.653 . . . . 52.13 112.661 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -79.02 -19.54 51.26 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.255 0.622 . . . . 75.41 111.663 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -90.77 12.32 19.59 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.368 0.667 . . . . 74.32 111.408 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 42.2 t -77.62 124.61 28.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.45 0.7 . . . . 72.15 109.375 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.428 ' HD2' ' H ' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -87.41 14.91 7.19 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.034 0.533 . . . . 71.15 111.601 -178.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -128.51 144.98 51.24 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.076 0.95 . . . . 72.24 109.476 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.12 141.36 54.69 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.454 1.102 . . . . 53.12 112.611 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -97.69 39.68 1.2 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.844 0.857 . . . . 62.55 110.451 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 150.86 165.47 12.81 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.238 -0.892 . . . . 72.02 111.779 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.5 p -68.28 -22.15 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.671 0.788 . . . . 61.12 110.903 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -71.31 -39.65 71.29 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.021 0.928 . . . . 73.03 110.661 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -84.13 -18.41 36.88 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.839 0.856 . . . . 74.24 110.329 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.8 tp -67.22 129.63 40.5 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.655 0.782 . . . . 34.45 111.297 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.412 ' HG2' ' HG3' ' A' ' 100' ' ' LYS . 34.3 mmt-85 -107.28 84.77 2.02 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 107.049 -1.463 . . . . 61.24 107.049 169.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -57.85 131.57 82.94 Favored Pre-proline 0 CA--C 1.554 1.106 0 O-C-N 123.473 0.483 . . . . 72.22 111.469 -171.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.41 131.56 26.76 Favored 'Trans proline' 0 C--N 1.376 2.021 0 C-N-CA 122.619 2.212 . . . . 64.31 111.108 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.5 mmt -77.17 108.63 10.41 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.414 0.686 . . . . 71.12 109.557 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -64.89 149.6 96.16 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 124.063 0.945 . . . . 73.21 110.746 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.18 116.91 3.25 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.991 2.461 . . . . 61.52 112.382 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -70.02 -39.97 75.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.384 0.673 . . . . 75.31 110.999 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.09 -82.14 0.18 Allowed Glycine 0 C--N 1.352 1.454 0 O-C-N 123.474 0.484 . . . . 60.43 112.69 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -155.13 78.34 1.03 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.578 0.751 . . . . 71.23 109.635 177.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.99 97.4 5.34 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.874 -1.158 . . . . 62.23 107.874 168.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -104.53 100.07 20.96 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 123.939 0.896 . . . . 74.01 109.863 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -89.13 5.5 4.91 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 123.021 2.481 . . . . 62.3 112.696 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.52 ' HD2' ' HB ' ' A' ' 144' ' ' THR . 2.2 tmtm? 59.7 67.78 0.85 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.82 1.248 . . . . 74.12 109.623 -174.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -66.99 -55.67 13.47 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.875 -1.057 . . . . 74.35 110.759 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.425 ' HG2' HG12 ' A' ' 165' ' ' ILE . 23.0 ttmm -79.62 78.59 6.16 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.703 0.763 . . . . 52.21 109.207 -174.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.52 ' HB ' ' HD2' ' A' ' 141' ' ' LYS . 13.1 t -128.94 -24.98 2.85 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.837 1.255 . . . . 60.32 109.739 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -79.4 150.52 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.02 0.928 . . . . 51.51 109.418 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 97.4 mt -80.39 149.53 30.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.423 0.689 . . . . 75.23 110.676 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 40.9 t -72.79 117.16 14.15 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.943 0.897 . . . . 41.24 110.352 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.05 -52.48 65.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.151 0.981 . . . . 71.25 110.847 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -58.03 -31.8 67.36 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.77 0.828 . . . . 73.23 111.688 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -79.5 -46.69 16.93 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.175 0.59 . . . . 51.02 110.596 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.1 p -73.92 -32.5 63.56 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.162 0.585 . . . . 52.35 112.304 -171.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.5 mtm -77.33 -40.97 42.27 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.995 0.518 . . . . 61.05 111.966 -176.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 65.2 p -105.71 -42.82 5.07 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.547 0.339 . . . . 73.42 111.835 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 137.55 -34.54 2.16 Favored Glycine 0 C--N 1.345 1.032 0 CA-C-N 116.241 -0.436 . . . . 61.31 112.21 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -135.83 149.39 49.04 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.737 0.815 . . . . 53.1 110.461 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.7 t -122.11 121.85 37.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.515 1.126 . . . . 41.3 109.09 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -67.92 -18.17 64.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.803 0.841 . . . . 75.23 112.771 -173.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -68.01 -37.35 81.31 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.801 0.841 . . . . 64.12 111.205 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.38 -116.2 8.51 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.518 0.511 . . . . 34.33 113.402 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.4 t -77.58 -14.3 59.69 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.413 0.685 . . . . 63.04 111.205 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -87.58 0.17 56.0 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.661 0.784 . . . . 74.31 111.25 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 21.6 t -75.68 134.25 40.6 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 122.791 0.436 . . . . 72.43 110.928 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -74.02 -26.07 60.22 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.999 0.92 . . . . 62.42 112.408 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -121.8 151.34 40.7 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.483 0.713 . . . . 64.5 111.115 -175.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.425 HG12 ' HG2' ' A' ' 143' ' ' LYS . 23.9 mt -61.42 136.34 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.691 1.196 . . . . 64.44 112.627 -168.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -95.6 94.83 7.98 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.547 0.739 . . . . 53.3 110.065 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -105.82 134.56 48.74 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.694 -1.224 . . . . 70.11 107.694 169.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.59 132.71 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 123.695 0.622 . . . . 73.23 110.792 -167.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 74.0 t -59.83 118.67 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 124.26 1.024 . . . . 52.52 110.778 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -138.46 122.98 18.48 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.764 0.826 . . . . 74.52 108.798 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -175.21 -55.87 0.06 OUTLIER Glycine 0 C--N 1.337 0.625 0 N-CA-C 110.773 -0.931 . . . . 65.42 110.773 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -129.4 88.45 2.69 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.522 -0.918 . . . . 75.12 108.522 175.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 123.494 0.718 . . . . 43.41 110.297 -178.389 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 111.875 0.324 . . . . 61.44 111.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -67.35 139.76 57.22 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.357 0.663 . . . . 64.21 110.926 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.89 146.03 26.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.849 0.86 . . . . 73.13 109.56 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -81.28 131.32 35.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.417 0.687 . . . . 61.23 109.837 -173.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt 50.18 62.26 2.76 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 126.456 1.903 . . . . 63.52 113.733 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.0 p -82.63 -10.29 59.01 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.285 -1.325 . . . . 71.22 112.039 176.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.33 166.36 26.53 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.943 0.897 . . . . 54.43 109.712 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.2 mt -75.79 148.44 38.46 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.284 0.564 . . . . 64.53 110.829 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.2 t -75.09 112.95 11.87 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.771 1.228 . . . . 33.01 110.033 -175.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.24 -34.76 78.36 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.796 0.838 . . . . 72.05 111.642 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.87 89.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.339 0.656 . . . . 64.3 110.39 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -73.89 -33.99 64.23 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.887 -1.052 . . . . 72.21 111.346 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -76.05 -31.03 58.62 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.145 -0.347 . . . . 62.05 111.591 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -85.39 -50.43 7.31 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.798 0.439 . . . . 74.52 110.904 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.2 m -97.22 -4.78 38.36 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.684 0.624 . . . . 75.22 112.684 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 68.98 9.75 7.57 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.685 1.194 . . . . 75.31 112.254 -176.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.12 144.5 9.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.307 1.043 . . . . 71.04 109.549 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 19.2 t -121.09 129.46 53.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.103 0.961 . . . . 60.23 109.677 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.6 p -74.46 -21.86 59.39 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.034 0.934 . . . . 75.3 112.126 -176.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -70.94 -26.39 63.16 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.629 0.771 . . . . 62.41 111.099 -176.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.34 -128.39 33.21 Favored Glycine 0 C--N 1.355 1.624 0 O-C-N 123.5 0.5 . . . . 74.35 113.209 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -77.4 -15.14 59.51 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.023 0.529 . . . . 62.1 111.559 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -82.57 -0.59 47.58 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.239 0.616 . . . . 45.02 111.023 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.98 127.27 32.05 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.3 0.64 . . . . 62.02 110.106 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -80.0 3.82 18.95 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.374 0.67 . . . . 74.12 112.032 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -130.88 152.65 49.98 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.867 0.867 . . . . 72.35 110.31 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 127' ' ' GLU . . . -77.78 139.82 39.38 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.543 1.137 . . . . 55.32 112.825 -167.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -98.88 28.51 4.29 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.779 0.832 . . . . 74.5 110.261 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.24 149.94 7.16 Favored Glycine 0 C--N 1.339 0.704 0 N-CA-C 110.974 -0.85 . . . . 74.14 110.974 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.86 -24.75 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.56 0.744 . . . . 74.14 111.242 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -68.37 -32.16 72.05 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.093 0.957 . . . . 75.41 111.294 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.457 ' HB2' ' HB1' ' A' ' 122' ' ' ALA . 43.7 mt-10 -83.9 -9.01 59.04 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.08 0.552 . . . . 71.11 112.397 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.23 111.64 2.06 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.132 0.491 . . . . 54.41 111.845 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -105.26 81.04 1.66 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 106.638 -1.615 . . . . 73.4 106.638 173.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.3 151.65 47.13 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 123.697 0.799 . . . . 71.32 111.253 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.62 99.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.928 2.419 . . . . 74.42 112.959 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 48.4 mtm -114.04 104.78 12.48 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.519 1.128 . . . . 71.13 109.377 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -81.23 131.1 60.03 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 108.287 -1.005 . . . . 64.45 108.287 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.64 -171.72 0.49 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.361 2.041 . . . . 53.1 112.711 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -72.27 92.35 1.38 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.869 0.468 . . . . 72.53 109.97 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 158.01 74.75 0.02 OUTLIER Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.249 -0.887 . . . . 44.34 111.156 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -152.15 140.59 20.61 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.63 0.772 . . . . 74.12 110.199 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.7 t30 58.44 73.62 0.47 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.728 1.211 . . . . 44.43 110.624 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -165.48 153.25 9.84 Favored Pre-proline 0 N--CA 1.479 1.014 0 CA-C-N 115.211 -0.904 . . . . 72.42 109.763 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.73 96.81 1.11 Allowed 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.497 2.131 . . . . 71.45 111.864 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -70.06 162.55 27.99 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.156 -0.683 . . . . 70.14 109.156 171.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -84.73 -60.65 2.0 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.057 -1.09 . . . . 73.43 108.057 169.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.596 ' HB3' HG12 ' A' ' 165' ' ' ILE . 34.5 mmtp -79.54 92.08 5.25 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.237 -0.892 . . . . 63.1 108.925 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.1 p -96.45 -71.5 0.67 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.926 0.891 . . . . 74.31 111.566 -171.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 38.4 t -116.5 153.04 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.48 1.112 . . . . 72.54 108.58 -174.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.99 139.83 58.38 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.905 0.482 . . . . 71.13 110.387 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.4 t -72.84 111.47 8.0 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.179 -0.674 . . . . 71.13 109.179 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -72.8 -40.33 65.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.549 0.531 . . . . 63.05 111.342 -172.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.91 -42.2 99.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.04 0.536 . . . . 72.42 110.812 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.95 -26.22 64.02 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.405 -0.816 . . . . 71.2 111.426 -176.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 60.0 p -87.09 -35.49 18.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.749 0.42 . . . . 45.04 111.572 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 74.3 mtm -76.91 -43.79 34.2 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.877 0.471 . . . . 73.31 111.622 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 44.6 p -104.81 -29.3 10.62 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.98 0.512 . . . . 35.24 111.261 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 94.97 4.21 61.62 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.873 -0.603 . . . . 53.45 112.066 -171.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -136.7 139.74 42.17 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.97 0.908 . . . . 74.41 110.103 -173.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 51.7 t -122.23 125.16 45.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.104 0.962 . . . . 74.21 108.975 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -24.94 65.77 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.397 0.679 . . . . 73.41 112.385 -173.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -80.53 -31.13 37.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.166 0.586 . . . . 74.4 110.751 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.14 -112.88 5.37 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.654 0.596 . . . . 53.23 112.286 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.1 p -76.4 -16.23 59.76 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.357 0.663 . . . . 72.04 111.352 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.57 12.51 18.58 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.193 0.997 . . . . 64.41 111.252 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.9 t -85.12 126.91 34.0 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.241 0.616 . . . . 73.54 111.251 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -78.08 -29.1 48.92 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.641 0.776 . . . . 63.54 110.536 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -79.92 143.56 34.13 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.048 0.539 . . . . 75.34 111.043 -176.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.596 HG12 ' HB3' ' A' ' 143' ' ' LYS . 22.4 mt -70.19 109.11 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.637 1.175 . . . . 74.14 111.43 -169.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -73.6 107.67 6.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.043 0.537 . . . . 74.12 110.796 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -117.93 103.61 10.11 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.948 0.899 . . . . 61.14 108.828 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 64.9 mt -70.63 117.8 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 109.01 -0.737 . . . . 73.43 109.01 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 47.4 t -71.82 110.37 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 109.079 -0.711 . . . . 74.02 109.079 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -132.4 135.75 46.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.536 0.734 . . . . 62.23 110.278 -171.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -159.76 -73.19 0.02 OUTLIER Glycine 0 C--N 1.341 0.846 0 N-CA-C 110.613 -0.995 . . . . 73.33 110.613 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -158.55 50.69 0.39 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 122.063 0.935 . . . . 75.35 108.718 175.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.1 -0.954 . . . . 74.44 109.893 177.205 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 109.972 -0.381 . . . . 73.1 109.972 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -86.72 158.32 19.45 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.855 0.862 . . . . 64.51 110.262 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.78 86.75 0.96 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.246 0.618 . . . . 61.5 110.169 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -142.96 136.09 28.17 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.059 0.943 . . . . 72.24 111.11 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HB3' ' A' ' 127' ' ' GLU . 15.8 ptpt 41.05 55.63 3.14 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.962 2.105 . . . . 72.32 115.573 167.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.4 p -83.37 -14.18 53.34 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.081 -0.963 . . . . 72.2 109.715 163.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.64 158.25 36.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.539 1.136 . . . . 65.42 110.223 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.57 158.5 32.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.891 0.876 . . . . 73.35 112.08 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 40.1 t -89.4 117.09 28.07 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.878 1.271 . . . . 71.2 110.257 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.95 -34.78 75.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.978 0.511 . . . . 52.23 110.818 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.31 -32.79 72.65 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.451 0.7 . . . . 71.15 111.326 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -74.38 -43.57 55.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.828 0.851 . . . . 63.01 110.456 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -73.67 -24.75 60.01 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.966 0.506 . . . . 63.41 111.96 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -93.39 -51.1 5.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.232 0.613 . . . . 64.42 112.256 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.6 t -113.22 5.17 16.85 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.93 0.715 . . . . 74.52 112.93 -166.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 65.0 -79.5 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.373 1.069 . . . . 74.34 111.322 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.5 95.74 1.43 Allowed 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.516 0.726 . . . . 51.23 110.594 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 23.7 t -78.83 128.03 32.82 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.973 0.909 . . . . 72.4 109.135 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.5 m -57.02 -37.96 72.46 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.862 1.265 . . . . 73.24 114.221 -164.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -80.42 -29.53 37.65 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.052 0.541 . . . . 54.34 112.021 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.87 -103.17 0.79 Allowed Glycine 0 C--N 1.349 1.299 0 O-C-N 123.475 0.484 . . . . 73.45 112.967 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -75.27 -31.46 60.75 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.249 0.62 . . . . 74.12 110.677 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -84.77 7.31 21.1 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.555 0.742 . . . . 71.42 111.707 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.9 t -69.01 130.45 42.81 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.022 0.529 . . . . 64.21 110.112 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -64.64 -32.41 74.07 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 63.23 112.082 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -101.74 159.53 15.25 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.609 0.764 . . . . 73.04 110.948 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' ' 100' ' ' LYS . . . -79.86 137.84 37.03 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.174 0.99 . . . . 55.33 112.539 -170.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -102.03 28.21 5.96 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.436 0.694 . . . . 75.32 109.977 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 172.99 162.52 25.22 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 116.323 -0.399 . . . . 75.41 112.76 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.2 p -63.67 -27.22 42.47 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 C-N-CA 124.329 1.052 . . . . 63.21 111.269 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -70.37 -33.63 71.65 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.309 1.044 . . . . 72.11 111.375 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.576 ' HB3' ' HD3' ' A' ' 100' ' ' LYS . 35.7 mt-10 -86.12 -1.42 57.38 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.099 0.56 . . . . 63.41 112.018 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.93 115.03 18.35 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.755 0.422 . . . . 71.33 111.31 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -86.18 146.26 26.64 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.626 -0.879 . . . . 73.01 108.626 171.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.8 154.76 91.11 Favored Pre-proline 0 CA--C 1.555 1.145 0 CA-C-N 116.028 -0.533 . . . . 70.35 110.698 176.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.68 110.16 0.69 Allowed 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.244 1.962 . . . . 74.53 110.605 168.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 23.4 ptp -111.36 169.51 8.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.001 0.92 . . . . 74.14 110.708 -174.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -153.94 154.22 29.71 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 123.415 0.686 . . . . 75.42 110.464 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.87 -34.14 54.26 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.631 2.887 . . . . 70.42 115.408 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -0.64 32.34 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 112.671 0.619 . . . . 64.52 112.671 -177.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -90.45 18.43 49.36 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-O 120.053 -0.304 . . . . 62.3 113.234 174.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -73.88 130.19 39.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.611 0.765 . . . . 75.54 110.549 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.35 94.94 0.75 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 109.081 -0.711 . . . . 55.22 109.081 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -89.3 126.79 57.45 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 115.409 -0.814 . . . . 72.14 110.169 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.15 99.82 1.28 Allowed 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 122.582 2.188 . . . . 72.41 112.572 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.537 ' HE2' HG23 ' A' ' 144' ' ' THR . 31.7 ttpt -101.55 158.16 16.28 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.658 -0.867 . . . . 75.01 108.658 170.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -56.33 -32.4 64.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.01 0.924 . . . . 74.12 112.525 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -126.49 32.72 5.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.708 0.766 . . . . 71.54 110.676 -174.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.537 HG23 ' HE2' ' A' ' 141' ' ' LYS . 31.7 p -108.17 -3.31 18.67 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 109.35 -0.611 . . . . 73.4 109.35 161.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.8 134.5 50.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 C-N-CA 124.355 1.062 . . . . 74.34 109.054 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 167' ' ' LYS . 76.0 mt -74.16 152.51 39.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.466 0.706 . . . . 62.53 109.766 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 20.0 t -75.7 113.81 13.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.307 0.643 . . . . 74.34 110.095 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.1 -50.89 68.73 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.933 0.893 . . . . 74.54 110.76 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -55.15 -45.19 75.66 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.949 0.899 . . . . 72.35 111.472 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.439 ' HE1' ' HA ' ' A' ' 168' ' ' ILE . 50.5 t80 -67.06 -27.74 67.63 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.1 -0.954 . . . . 65.01 111.208 -176.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 38.7 m -88.63 -28.33 20.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.448 0.699 . . . . 70.42 112.468 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.0 mtm -86.71 -52.18 5.67 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.124 0.57 . . . . 73.14 111.421 -174.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.7 p -95.26 -31.99 13.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.276 0.63 . . . . 75.21 110.232 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 116.12 -20.84 12.52 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.547 -0.751 . . . . 33.32 112.114 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.69 150.88 52.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.573 0.749 . . . . 71.22 110.188 -177.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 39.0 t -118.54 119.61 35.03 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.185 -1.043 . . . . 53.3 108.185 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -75.59 -21.08 58.13 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.047 0.539 . . . . 74.02 111.927 -172.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 9.2 m-85 -66.65 -39.34 88.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.598 0.759 . . . . 62.32 110.516 176.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.23 -112.54 5.08 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 123.625 0.578 . . . . 53.34 112.569 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.5 p -68.97 -29.43 67.64 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.765 0.826 . . . . 72.33 110.982 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 -7.91 55.63 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.05 0.94 . . . . 74.33 111.463 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 46.6 t -77.27 124.41 27.81 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 108.897 -0.779 . . . . 70.01 108.897 172.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -85.25 -13.77 48.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.809 0.844 . . . . 65.24 111.481 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -88.81 149.96 23.15 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.899 0.88 . . . . 71.43 111.024 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 35.5 mt -62.31 111.65 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.163 0.985 . . . . 75.41 110.606 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -74.31 91.26 2.17 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.569 0.699 . . . . 74.42 109.195 170.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.466 ' HB2' HD22 ' A' ' 146' ' ' LEU . 27.6 tptp -87.08 119.66 27.54 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 107.034 -1.469 . . . . 64.25 107.034 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.439 ' HA ' ' HE1' ' A' ' 150' ' ' PHE . 39.9 mm -69.23 96.31 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.292 0.567 . . . . 73.33 110.253 -171.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 84.0 t -100.16 134.24 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 114.558 -1.201 . . . . 65.24 108.055 175.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -61.93 -42.57 99.26 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.37 0.668 . . . . 74.12 110.634 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 76.88 57.25 3.82 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.214 -0.903 . . . . 50.31 111.861 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -69.87 87.81 0.54 Allowed 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 121.972 0.892 . . . . 44.53 110.302 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 CA-C-N 115.031 -0.986 . . . . 53.54 108.878 -177.011 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.738 0.304 . . . . 71.24 110.271 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -76.04 164.25 26.33 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.285 0.634 . . . . 55.24 111.032 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 58.41 38.53 25.73 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.81 1.244 . . . . 62.1 112.092 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -126.36 96.08 4.58 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.956 0.902 . . . . 72.24 110.264 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.611 ' HG3' ' HD3' ' A' ' 129' ' ' ARG . 0.4 OUTLIER 46.1 32.43 1.41 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 126.622 1.969 . . . . 65.51 114.913 170.41 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.5 p -82.71 -18.42 40.93 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.405 -0.816 . . . . 62.11 110.009 170.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -123.93 156.75 35.76 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.896 1.279 . . . . 73.2 108.828 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -74.66 157.4 35.4 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.365 0.666 . . . . 62.53 111.854 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.2 t -79.32 121.1 24.69 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 124.196 0.998 . . . . 64.24 109.709 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.441 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 40.4 m-20 -66.14 -30.38 70.85 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.137 0.575 . . . . 62.24 111.424 -178.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.02 68.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.141 0.577 . . . . 72.4 111.127 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 73.4 t80 -81.42 -30.91 33.4 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.104 0.562 . . . . 71.34 111.3 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 17.5 ptpt -84.44 -38.06 20.64 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 122.319 -0.238 . . . . 74.23 111.084 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -90.52 -51.08 5.58 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.735 0.414 . . . . 74.41 111.162 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.5 t -99.01 -21.8 16.05 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.433 0.693 . . . . 74.31 111.651 -173.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 95.4 mt-30 74.84 -53.64 0.67 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.675 1.59 . . . . 75.03 111.328 -172.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.73 123.68 23.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.362 0.665 . . . . 74.23 110.403 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -109.2 126.35 53.19 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.221 1.008 . . . . 74.12 109.538 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.0 m -69.1 -31.04 69.48 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.637 0.775 . . . . 75.14 112.036 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -68.47 -32.0 71.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.051 0.54 . . . . 75.12 111.061 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.79 -120.23 12.27 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 123.633 0.583 . . . . 71.31 112.695 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -77.66 -18.51 56.62 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.61 0.764 . . . . 64.51 111.403 178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -82.49 1.24 38.65 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.482 0.713 . . . . 74.22 111.785 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 37.9 t -67.36 117.25 9.09 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 122.997 0.519 . . . . 61.01 110.457 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -66.8 -34.61 78.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.549 0.74 . . . . 70.41 110.279 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -80.37 161.44 25.0 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.203 1.001 . . . . 74.55 111.873 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.24 128.12 32.91 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.108 0.963 . . . . 51.11 112.941 -170.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -97.42 68.95 2.2 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.626 0.77 . . . . 64.4 109.311 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.71 162.49 11.64 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-N 115.722 -0.672 . . . . 63.23 112.096 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.2 p -70.08 -24.57 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.304 0.642 . . . . 75.23 111.309 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -69.92 -31.22 68.87 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.305 0.642 . . . . 73.23 110.778 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -77.7 -15.4 59.18 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.83 0.852 . . . . 72.33 112.171 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 mt -67.18 116.6 8.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.726 0.41 . . . . 70.4 111.133 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.611 ' HD3' ' HG3' ' A' ' 100' ' ' LYS . 10.6 mpt_? -89.25 135.01 33.81 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.05 -1.093 . . . . 75.41 108.05 167.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.6 pp -87.64 154.44 53.4 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 122.852 0.461 . . . . 73.4 110.302 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.0 110.62 1.03 Allowed 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.073 1.849 . . . . 71.53 109.786 167.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 23.6 mmt -61.21 106.31 0.6 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.578 0.751 . . . . 73.22 110.471 -171.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.413 ' OD1' ' HA3' ' A' ' 136' ' ' GLY . 2.5 t-20 -74.39 112.31 16.62 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 124.487 1.115 . . . . 73.4 110.839 -173.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.21 117.11 3.74 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 123.11 2.54 . . . . 55.11 112.378 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 69.7 16.45 7.93 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.976 1.31 . . . . 64.25 111.43 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.413 ' HA3' ' OD1' ' A' ' 133' ' ' ASN . . . -110.19 -29.54 3.7 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-O 119.819 -0.434 . . . . 75.41 112.607 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 64.96 96.74 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.772 1.229 . . . . 74.22 112.235 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 64.79 -78.8 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.539 1.536 . . . . 72.44 111.946 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -65.93 144.27 98.76 Favored Pre-proline 0 CA--C 1.557 1.25 0 C-N-CA 122.951 0.5 . . . . 71.34 111.266 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -77.19 75.0 4.81 Favored 'Trans proline' 0 C--N 1.382 2.315 0 C-N-CA 122.843 2.362 . . . . 75.34 112.458 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.76 100.9 2.46 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.763 -1.199 . . . . 64.12 107.763 174.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -69.74 -46.28 66.23 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.322 1.049 . . . . 62.32 112.47 -165.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -73.32 99.88 3.02 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.038 -0.727 . . . . 70.13 109.038 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 43.8 p -106.56 -41.54 5.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.59 0.756 . . . . 52.34 111.269 -174.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.81 139.96 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.585 0.754 . . . . 75.21 109.392 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.56 148.88 48.83 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.334 0.653 . . . . 71.44 110.851 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.8 t -82.53 113.17 20.07 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.557 -0.905 . . . . 73.35 108.557 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -67.99 -49.93 58.67 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.458 0.703 . . . . 72.43 111.151 -171.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.95 -30.24 69.49 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.19 -0.459 . . . . 73.52 111.746 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -74.76 -23.23 58.5 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 110.016 -0.364 . . . . 72.14 110.016 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.1 t -86.03 -30.49 22.63 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.291 0.636 . . . . 51.21 111.087 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.2 mtm -90.48 -53.22 4.53 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.866 0.466 . . . . 73.23 111.762 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 36.2 p -96.65 -20.64 18.14 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.106 0.562 . . . . 75.43 110.91 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 90.27 -0.3 78.03 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.219 -0.446 . . . . 60.2 112.925 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -131.92 144.33 50.76 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.457 0.703 . . . . 72.15 110.946 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 42.3 t -122.84 122.78 39.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.59 1.156 . . . . 75.34 108.911 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -15.79 61.75 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.887 0.875 . . . . 74.42 112.6 -174.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' TYR . . . . . 0.407 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 76.9 m-85 -86.73 -27.06 23.9 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.331 0.652 . . . . 74.44 111.025 176.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.93 -125.74 30.76 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 111.827 -0.509 . . . . 74.34 111.827 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.4 p -71.98 -15.65 62.06 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 117.394 0.597 . . . . 71.41 112.208 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 57.7 mtm-85 -73.73 -15.78 61.2 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.44 0.696 . . . . 74.01 111.623 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 49.1 t -67.61 127.8 34.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.886 0.874 . . . . 64.51 110.385 177.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -85.07 9.12 15.65 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.454 0.702 . . . . 73.2 111.911 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -113.17 149.5 33.57 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.907 0.883 . . . . 74.34 110.533 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 44.3 mt -64.08 120.08 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.458 1.103 . . . . 72.41 110.842 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -92.46 94.14 8.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.89 0.476 . . . . 71.11 110.051 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -97.43 116.23 29.25 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.159 -1.052 . . . . 64.31 108.159 168.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 61.2 mt -68.37 130.31 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.446 0.698 . . . . 74.55 109.489 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 52.4 t -62.11 118.72 4.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.471 0.708 . . . . 34.21 110.511 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -83.68 169.53 15.2 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.53 -0.759 . . . . 74.12 110.77 -176.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 104.12 100.3 2.6 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.667 -0.519 . . . . 64.31 111.935 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 49.03 28.37 2.02 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 126.167 1.787 . . . . 62.13 113.787 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 C-N-CA 123.946 0.898 . . . . 75.53 108.781 179.802 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.397 0.142 . . . . 61.14 110.775 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -72.34 144.89 48.11 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.531 0.732 . . . . 61.24 110.262 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.81 -0.44 14.21 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.548 0.739 . . . . 72.45 112.556 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -94.74 106.06 18.03 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.815 0.446 . . . . 75.23 111.002 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 65.91 15.99 10.29 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.054 1.342 . . . . 75.52 112.899 167.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.8 p -79.43 -15.33 58.0 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.625 0.77 . . . . 71.0 110.972 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.46 142.28 49.18 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.4 1.08 . . . . 70.41 108.808 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.0 149.69 44.28 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.398 0.618 . . . . 73.12 111.681 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 53.0 t -81.93 112.83 19.39 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.848 -1.069 . . . . 65.42 109.333 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.69 -42.77 97.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.72 0.808 . . . . 75.4 110.489 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.39 -35.29 75.41 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 124.113 0.883 . . . . 62.35 111.68 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -70.73 -47.45 59.66 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.899 0.48 . . . . 73.42 110.489 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -62.71 -40.5 97.36 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.972 0.509 . . . . 75.32 111.852 -175.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -79.75 -28.72 40.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.969 0.508 . . . . 75.31 111.927 -172.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 m -113.25 -6.82 13.58 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.031 0.752 . . . . 63.21 113.031 -174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 67.34 13.64 9.43 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.879 1.272 . . . . 73.24 111.632 -172.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -170.59 134.11 1.06 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.316 1.446 . . . . 74.12 108.411 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.4 t -82.75 143.43 30.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.406 0.682 . . . . 53.25 110.916 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.5 p -66.29 -41.58 89.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.953 0.901 . . . . 74.54 111.567 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.472 ' HB2' ' HB2' ' A' ' 119' ' ' CYS . 81.4 m-85 -81.09 -33.12 33.57 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.291 0.636 . . . . 74.42 111.27 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 63.6 -103.32 0.67 Allowed Glycine 0 C--N 1.349 1.287 0 O-C-N 123.977 0.798 . . . . 75.22 113.179 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -73.74 -24.55 59.9 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.444 0.698 . . . . 71.13 111.315 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.422 ' HB2' ' HB3' ' A' ' 115' ' ' TYR . 18.5 mm-40 -77.52 -14.23 59.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.162 0.585 . . . . 75.34 111.473 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 115' ' ' TYR . 53.7 t -82.24 126.43 32.09 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.328 0.651 . . . . 75.23 109.97 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -91.03 -6.45 53.89 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.142 0.577 . . . . 54.15 111.55 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -82.71 159.65 22.53 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.647 0.779 . . . . 74.25 111.311 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.64 127.01 31.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.144 0.978 . . . . 51.15 112.732 -175.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -101.19 66.89 1.15 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.28 1.032 . . . . 75.14 108.79 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.82 165.63 14.47 Favored Glycine 0 N--CA 1.471 1.02 0 CA-C-N 115.204 -0.907 . . . . 60.22 111.7 -174.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.24 -21.2 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 122.64 0.376 . . . . 70.35 111.413 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -69.7 -33.01 71.94 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.032 0.444 . . . . 72.01 110.113 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -80.61 -24.73 38.89 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.583 -0.735 . . . . 64.41 111.062 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.08 111.55 3.94 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.93 -0.767 . . . . 73.13 108.93 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -119.11 138.44 52.9 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.641 1.176 . . . . 60.15 109.331 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.89 150.06 77.87 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 123.17 0.588 . . . . 45.0 111.009 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -83.56 50.65 3.28 Favored 'Trans proline' 0 C--N 1.383 2.347 0 C-N-CA 123.406 2.738 . . . . 60.31 111.892 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 32.0 mmt 60.64 26.17 15.9 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.897 1.279 . . . . 63.25 111.328 -173.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -131.09 118.12 17.3 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 124.518 1.127 . . . . 75.12 108.038 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -47.79 118.99 3.4 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 123.369 2.713 . . . . 74.01 112.67 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.53 116.23 6.58 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.891 0.876 . . . . 72.25 111.369 -171.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.97 -66.62 2.77 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 115.62 -0.718 . . . . 54.25 112.362 177.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -77.02 108.97 10.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 122.958 0.503 . . . . 71.15 110.909 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.69 -66.62 0.89 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 107.664 -1.235 . . . . 74.05 107.664 169.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -171.88 146.75 1.84 Allowed Pre-proline 0 N--CA 1.478 0.95 0 C-N-CA 124.736 1.214 . . . . 73.21 108.531 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -80.85 51.58 4.0 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.071 2.514 . . . . 64.23 112.239 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt 56.06 45.83 22.87 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 124.744 1.218 . . . . 75.35 110.184 -171.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -65.53 -51.97 55.98 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.871 -1.059 . . . . 72.45 110.366 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -81.06 108.62 14.88 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.573 -0.74 . . . . 43.52 109.176 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 74.2 p -113.55 -55.06 2.55 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.024 0.93 . . . . 73.24 111.097 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 61.1 t -93.4 147.74 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.907 0.883 . . . . 74.42 109.758 -176.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.453 HD23 ' HB ' ' A' ' 165' ' ' ILE . 92.8 mt -69.96 152.66 44.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.46 0.704 . . . . 72.45 110.929 176.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 24.7 t -84.81 114.0 21.76 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.202 0.601 . . . . 73.23 109.392 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -71.22 -42.23 69.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.301 0.641 . . . . 53.32 109.936 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -62.84 -32.59 73.83 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.268 0.627 . . . . 74.2 111.42 -177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -67.59 -50.29 59.0 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.319 0.648 . . . . 75.43 110.268 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.7 p -74.27 -34.66 63.63 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.268 0.627 . . . . 33.31 112.38 -172.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.7 mtm -75.79 -39.68 56.51 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.939 0.496 . . . . 73.21 112.33 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 43.6 p -96.5 -42.66 7.98 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.802 0.334 . . . . 71.43 110.659 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 141.14 -35.74 1.81 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 111.484 -0.646 . . . . 61.51 111.484 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -147.29 163.95 34.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.99 0.916 . . . . 63.43 110.61 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 36.4 t -120.5 120.46 35.93 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.375 1.07 . . . . 71.22 108.411 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -23.67 61.41 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.593 0.757 . . . . 65.14 112.614 -170.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' TYR . . . . . 0.482 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 23.7 m-85 -66.45 -42.09 88.15 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.034 0.534 . . . . 72.54 111.811 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.91 -102.85 0.62 Allowed Glycine 0 C--N 1.347 1.144 0 O-C-N 123.651 0.595 . . . . 62.33 112.859 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 8.8 t -76.48 -20.66 56.75 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.671 0.788 . . . . 71.53 111.453 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 70.2 mtp180 -73.7 -26.02 60.51 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.326 0.651 . . . . 71.2 110.337 175.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 49.3 t -74.29 122.96 23.7 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.747 0.819 . . . . 71.11 109.889 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -79.14 -11.64 59.98 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.52 0.728 . . . . 71.12 111.826 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -93.9 149.65 21.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.76 0.824 . . . . 64.23 111.162 -174.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.453 ' HB ' HD23 ' A' ' 146' ' ' LEU . 61.6 mt -65.28 125.24 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.547 1.139 . . . . 62.44 110.909 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -97.07 94.83 7.38 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.469 0.708 . . . . 75.11 109.426 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -91.32 114.43 26.95 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.839 -1.171 . . . . 73.5 107.839 168.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 46.3 mt -68.08 97.88 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.708 0.803 . . . . 64.11 109.996 -172.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.6 130.13 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.549 0.74 . . . . 72.23 110.132 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -76.39 173.74 11.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.737 0.815 . . . . 52.04 110.888 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -60.17 -32.36 76.06 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 116.022 -0.536 . . . . 73.44 113.319 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -149.15 136.23 19.89 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.806 0.843 . . . . 74.32 109.33 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 C-N-CA 123.708 0.803 . . . . 74.4 109.227 179.749 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 110.718 -0.105 . . . . 72.12 110.718 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.77 169.38 12.13 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.343 0.657 . . . . 74.31 110.328 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.95 83.51 0.95 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.365 0.666 . . . . 53.54 110.658 -178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -149.61 136.26 19.35 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.11 -1.071 . . . . 74.11 108.11 -177.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 121' ' ' PHE . 16.9 ptpt 46.13 47.28 13.08 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.301 1.84 . . . . 73.51 113.052 -177.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -84.49 -18.66 35.11 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 113.89 -1.504 . . . . 73.34 110.941 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.21 165.93 18.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.247 1.019 . . . . 60.43 109.265 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.8 mt -77.55 148.18 35.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.835 0.454 . . . . 63.43 110.739 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.5 t -75.51 122.62 24.14 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.462 1.105 . . . . 73.12 110.389 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.29 -46.48 79.76 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.284 1.034 . . . . 73.5 111.278 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.08 77.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.685 0.794 . . . . 33.54 111.698 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -70.71 -31.08 67.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.559 0.743 . . . . 74.24 111.295 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -84.62 -34.31 23.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.637 0.375 . . . . 54.25 111.719 -177.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -86.31 -45.23 11.43 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.161 0.43 . . . . 64.32 112.161 -174.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.4 p -113.03 -2.04 14.31 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.028 0.531 . . . . 51.42 112.185 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 69.16 -71.12 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.093 1.357 . . . . 72.15 111.651 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.94 94.96 2.4 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.445 -0.576 . . . . 74.31 109.445 172.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.66 125.54 27.38 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.113 0.965 . . . . 74.23 110.109 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.8 t -71.8 -26.31 62.36 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.726 0.811 . . . . 61.25 111.655 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.563 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 42.1 m-85 -74.38 -24.73 59.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.669 0.788 . . . . 72.31 111.161 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.3 -142.46 44.48 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.415 0.447 . . . . 64.34 113.199 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -65.29 -17.29 64.39 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.33 0.652 . . . . 63.54 111.952 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -77.54 3.82 12.69 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.077 0.951 . . . . 75.24 111.92 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 80.8 m -63.6 138.83 58.66 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.851 0.86 . . . . 52.15 111.58 172.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -78.72 -6.17 55.12 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.52 0.728 . . . . 73.0 111.089 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.56 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 51.6 m-85 -124.84 159.69 30.48 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.165 0.986 . . . . 73.32 110.548 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.57 148.15 37.21 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.891 1.277 . . . . 52.24 112.819 -172.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -105.96 29.06 7.01 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.304 1.042 . . . . 73.53 109.908 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.71 157.29 18.25 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 115.766 -0.652 . . . . 54.43 111.931 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.5 -23.73 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 123.834 0.854 . . . . 61.3 111.351 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -72.66 -34.4 67.22 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.663 0.785 . . . . 75.11 110.916 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -85.09 1.08 49.39 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.187 0.595 . . . . 73.03 111.85 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.5 114.47 8.64 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.419 0.287 . . . . 61.35 110.656 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -81.35 133.84 35.48 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.578 -1.268 . . . . 75.23 107.578 164.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.82 149.92 98.03 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 118.835 -0.603 . . . . 62.43 110.081 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.33 94.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 122.846 2.364 . . . . 73.32 112.255 176.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.3 mtm -80.55 122.45 27.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.226 1.01 . . . . 73.25 110.642 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -150.04 115.34 3.43 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 108.105 -1.072 . . . . 73.13 108.105 177.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.71 148.94 72.79 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.528 2.152 . . . . 63.13 111.665 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -73.33 88.53 1.55 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.064 0.545 . . . . 75.31 109.712 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.37 -68.51 1.58 Allowed Glycine 0 C--N 1.345 1.078 0 CA-C-N 115.667 -0.697 . . . . 72.12 112.484 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -118.2 98.87 6.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.499 0.72 . . . . 74.54 109.686 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -136.9 96.71 3.36 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.936 0.895 . . . . 74.41 108.688 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -80.44 158.79 71.05 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 123.288 0.635 . . . . 74.22 109.954 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.62 112.65 1.84 Allowed 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 121.745 1.63 . . . . 71.23 110.03 168.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -92.59 100.0 12.6 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 121.645 0.736 . . . . 75.43 110.805 -174.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.456 ' HB2' ' HB2' ' A' ' 163' ' ' GLN . 24.0 p90 -135.79 -45.05 0.66 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.928 0.891 . . . . 74.1 109.791 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -94.95 49.23 1.22 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.882 0.848 . . . . 70.25 110.074 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 37.2 p -96.88 -23.26 16.43 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.687 -1.142 . . . . 74.55 109.631 169.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.87 143.3 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 124.73 1.212 . . . . 51.31 109.46 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 59.1 mt -77.39 148.12 35.68 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.154 0.582 . . . . 75.34 109.49 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 15.4 t -69.67 113.32 6.82 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.145 -0.687 . . . . 65.2 109.145 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.96 -52.61 63.34 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.896 0.878 . . . . 75.01 111.792 -168.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -69.73 -29.72 67.16 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.98 -0.554 . . . . 64.21 111.045 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -73.92 -22.56 59.64 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 109.851 -0.425 . . . . 75.21 109.851 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 51.0 m -84.06 -43.82 14.71 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.481 0.712 . . . . 45.43 111.363 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.0 mtm -83.08 -54.33 5.13 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.084 0.554 . . . . 62.45 111.687 -171.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 22.0 p -96.13 -17.33 20.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.067 0.547 . . . . 73.31 110.074 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 85.2 5.18 85.82 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 116.007 -0.542 . . . . 60.25 113.076 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -134.76 133.97 40.46 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.842 0.857 . . . . 73.33 110.433 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 35.1 t -121.74 123.2 41.28 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.116 0.966 . . . . 71.5 108.739 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -25.15 65.55 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.635 0.774 . . . . 61.31 112.525 -174.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -75.11 -31.81 61.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.479 0.712 . . . . 74.22 111.523 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.01 -115.83 8.57 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.644 0.59 . . . . 42.34 112.979 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.2 p -71.13 -24.31 62.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.206 0.602 . . . . 71.33 111.788 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -84.24 2.62 39.12 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.176 0.59 . . . . 74.23 112.153 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.32 129.28 37.69 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.128 0.571 . . . . 73.32 110.729 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 142' ' ' TYR . 26.5 pt20 -86.37 -0.16 55.31 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.068 0.547 . . . . 73.2 111.966 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -111.51 150.42 29.97 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.664 0.785 . . . . 72.12 110.39 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.62 115.3 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.865 0.866 . . . . 62.35 111.767 -173.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -81.59 102.61 10.75 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.045 0.538 . . . . 74.53 111.071 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -105.39 120.61 42.02 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 124.022 0.929 . . . . 61.01 108.934 169.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.45 125.27 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.177 -0.675 . . . . 75.21 109.177 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.99 117.28 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.993 0.917 . . . . 75.1 110.168 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -78.6 175.0 10.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.083 0.953 . . . . 74.45 110.777 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -75.16 80.47 0.97 Allowed Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.876 -0.602 . . . . 70.22 112.153 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -132.96 86.4 2.3 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.578 0.751 . . . . 62.0 109.075 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.31 0 C-N-CA 124.216 1.007 . . . . 72.15 108.538 178.377 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.882 -0.414 . . . . 71.11 109.882 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.45 150.52 34.96 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.528 0.731 . . . . 74.42 110.658 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.53 6.66 44.74 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.353 0.661 . . . . 61.02 112.397 -175.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -70.28 125.97 28.32 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 109.09 -0.707 . . . . 73.11 109.09 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HD3' ' HB3' ' A' ' 127' ' ' GLU . 17.9 ptpt 45.72 37.76 3.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.481 1.912 . . . . 73.11 113.978 178.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.1 p -88.49 -11.98 44.27 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.255 -0.884 . . . . 72.44 110.85 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.51 158.9 39.68 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.635 1.174 . . . . 75.54 109.046 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.3 mt -76.2 156.24 33.8 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.231 0.613 . . . . 64.44 112.459 -173.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 47.4 t -88.84 123.67 33.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.513 1.125 . . . . 70.3 110.614 -175.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.513 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 63.5 m-20 -70.44 -29.53 66.14 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.443 0.697 . . . . 72.31 111.288 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.18 69.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.331 0.653 . . . . 71.21 111.041 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -78.25 -42.46 31.06 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.377 0.671 . . . . 73.42 110.938 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.513 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 17.9 ptpt -76.89 -36.4 56.72 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.18 0.192 . . . . 74.12 111.505 -174.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -91.38 -52.27 4.88 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.74 0.416 . . . . 73.31 111.945 -174.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.2 t -95.95 -26.37 15.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.079 0.552 . . . . 60.15 111.305 -173.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 65.41 20.23 11.73 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.565 1.146 . . . . 62.34 111.116 -172.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -149.28 104.79 3.42 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.991 0.917 . . . . 61.2 109.125 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.4 t -103.95 126.84 51.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.088 0.955 . . . . 63.2 109.233 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.9 p -73.93 -37.65 64.52 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.701 0.8 . . . . 61.13 112.075 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -72.49 -29.29 63.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.991 0.516 . . . . 74.4 111.878 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.9 -108.28 2.31 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.705 0.628 . . . . 72.53 113.295 176.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -75.5 -27.64 58.86 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.458 0.703 . . . . 72.11 110.91 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.65 3.35 37.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.181 0.593 . . . . 71.42 111.406 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.8 t -71.66 118.54 14.62 Favored 'General case' 0 C--N 1.348 0.501 0 N-CA-C 109.313 -0.625 . . . . 72.34 109.313 173.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.481 ' HD2' ' H ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -77.63 14.11 1.11 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.428 0.691 . . . . 72.53 112.339 179.772 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -131.29 141.38 49.95 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.288 1.035 . . . . 73.42 109.516 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.38 138.73 45.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.656 1.182 . . . . 61.34 112.696 -170.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -97.26 28.82 3.45 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.776 0.83 . . . . 53.25 110.197 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 158.66 171.07 24.03 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.754 -0.657 . . . . 71.34 111.651 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.6 p -70.42 -24.78 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.275 0.63 . . . . 52.11 111.075 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -65.34 -34.21 77.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.901 0.88 . . . . 74.42 110.896 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.46 ' HB3' ' HD3' ' A' ' 100' ' ' LYS . 46.2 mt-10 -86.08 -12.6 49.68 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.615 0.766 . . . . 74.42 111.962 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.2 mt -67.93 112.68 5.09 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.395 0.543 . . . . 53.03 110.338 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -94.77 131.04 41.04 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 107.387 -1.338 . . . . 73.32 107.387 167.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -81.82 142.33 48.72 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 119.601 -0.237 . . . . 64.23 110.432 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -59.74 129.38 30.51 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.837 2.358 . . . . 63.54 111.601 168.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.406 ' SD ' ' N ' ' A' ' 132' ' ' MET . 0.6 OUTLIER -72.1 85.79 1.03 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.469 0.708 . . . . 74.12 110.292 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -92.49 152.53 42.22 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 114.556 -1.202 . . . . 72.11 110.012 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.56 -171.79 1.13 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.443 2.095 . . . . 71.24 111.821 175.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -78.46 82.35 4.74 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 109.22 -0.659 . . . . 74.41 109.22 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -89.07 -51.75 2.92 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-N 115.278 -0.874 . . . . 61.32 112.227 -178.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -76.2 111.61 11.8 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.375 0.607 . . . . 73.21 110.21 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -136.43 119.67 16.71 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.13 0.972 . . . . 74.21 109.142 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -70.93 149.15 94.9 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-O 119.059 -0.496 . . . . 74.22 110.015 175.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -49.26 -28.91 15.87 Favored 'Trans proline' 0 C--N 1.387 2.596 0 C-N-CA 123.968 3.112 . . . . 52.4 115.236 -173.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -79.61 82.68 5.69 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.251 0.62 . . . . 73.11 109.555 176.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -77.95 -55.4 5.34 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.973 0.509 . . . . 72.32 110.011 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -75.11 102.46 4.92 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 107.994 -1.113 . . . . 54.0 107.994 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.9 p -111.4 -42.5 3.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.883 0.873 . . . . 74.11 111.084 -172.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.1 t -83.5 145.2 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.554 0.742 . . . . 62.12 109.292 177.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.35 153.22 40.59 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.254 0.622 . . . . 72.44 111.224 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 11.7 t -86.86 114.26 23.36 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.482 0.713 . . . . 74.21 109.556 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -64.76 -51.7 60.89 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.661 0.785 . . . . 61.0 110.64 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.37 -45.25 95.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.6 -0.727 . . . . 74.41 111.436 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 47.6 t80 -71.55 -23.73 61.81 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.089 -0.505 . . . . 74.45 111.813 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.0 p -85.97 -36.23 19.94 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 122.3 -0.25 . . . . 64.3 111.19 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 69.8 mtm -86.12 -52.34 5.74 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.918 0.487 . . . . 75.11 111.92 -174.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 62.9 p -95.85 -26.68 15.53 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.977 0.511 . . . . 42.21 110.625 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 88.51 2.25 79.7 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.769 -0.65 . . . . 74.24 112.694 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -125.31 128.36 48.11 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.161 0.984 . . . . 75.41 109.203 -175.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 49.5 t -121.42 122.58 40.1 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.617 0.767 . . . . 72.15 109.235 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.66 -52.24 62.97 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.215 1.406 . . . . 65.22 111.919 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -70.65 -24.74 62.76 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 114.912 -1.04 . . . . 72.44 112.427 -173.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.82 -117.87 9.14 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 123.457 0.473 . . . . 44.13 113.272 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 36.2 p -75.67 -29.72 59.16 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.888 0.475 . . . . 73.11 110.873 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -75.45 -0.53 20.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.294 0.638 . . . . 74.41 112.121 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 51.5 t -63.24 122.25 15.68 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.14 0.576 . . . . 53.5 109.826 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -81.07 12.0 3.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.043 0.937 . . . . 53.22 111.779 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -121.73 149.24 43.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.602 1.161 . . . . 73.14 110.324 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.439 HG22 ' HG2' ' A' ' 167' ' ' LYS . 25.7 mt -68.34 121.35 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.909 0.884 . . . . 74.2 110.487 -178.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -85.9 98.99 11.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.297 0.639 . . . . 62.34 110.827 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.439 ' HG2' HG22 ' A' ' 165' ' ' ILE . 32.4 mmmt -115.96 117.95 31.57 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.846 0.858 . . . . 72.04 109.351 173.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 63.2 mt -78.02 101.68 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.298 -1.001 . . . . 74.3 108.298 172.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.42 109.71 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.146 0.578 . . . . 72.34 109.616 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -69.33 148.04 50.26 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.608 0.763 . . . . 72.3 111.876 -173.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 136.84 154.57 6.76 Favored Glycine 0 C--N 1.341 0.842 0 CA-C-N 115.659 -0.7 . . . . 44.54 111.746 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 67.53 -76.73 0.05 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.068 1.347 . . . . 73.2 111.511 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 C-N-CA 123.797 0.839 . . . . 43.12 109.199 -178.542 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.879 -0.415 . . . . 70.24 109.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -88.11 160.4 17.81 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.287 1.035 . . . . 72.31 109.804 176.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 86.79 0.21 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.518 0.727 . . . . 74.31 111.296 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -116.83 138.2 51.67 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 124.386 1.074 . . . . 74.23 109.247 174.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.532 ' HB2' ' HD3' ' A' ' 129' ' ' ARG . 31.6 mmtp 62.26 21.95 12.84 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.351 1.46 . . . . 64.0 111.828 174.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.2 p -78.63 -8.14 58.35 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.923 0.889 . . . . 71.0 112.633 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.3 165.21 29.95 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.656 0.782 . . . . 55.13 110.138 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.79 149.84 47.52 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.177 0.591 . . . . 73.33 111.453 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.0 t -88.93 120.32 30.23 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.668 0.787 . . . . 72.31 110.243 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.413 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 29.6 t70 -66.28 -37.16 84.81 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.622 0.769 . . . . 74.22 110.481 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.97 -22.1 64.13 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.555 0.742 . . . . 75.13 112.032 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 87.5 t80 -86.99 -36.12 18.43 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 122.995 0.518 . . . . 65.22 111.206 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 14.5 ptmm? -86.31 -37.88 18.07 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 111.979 0.363 . . . . 71.43 111.979 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -92.73 -50.53 5.53 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.635 0.774 . . . . 71.32 111.896 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.2 t -92.7 -12.93 30.21 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.042 0.537 . . . . 64.2 111.66 -175.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 23.6 tp60 69.59 -67.8 0.21 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.624 1.57 . . . . 70.23 111.505 -175.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.21 106.48 7.85 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.147 0.579 . . . . 71.31 110.034 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.77 125.75 30.08 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.846 0.858 . . . . 73.43 109.594 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.5 p -67.92 -32.59 73.16 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.823 0.849 . . . . 71.53 112.128 -172.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -72.96 -41.39 64.47 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.703 0.401 . . . . 75.32 111.091 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.16 -107.46 1.97 Allowed Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.992 -0.549 . . . . 61.53 112.551 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -73.82 -19.78 60.65 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.351 0.661 . . . . 75.22 111.56 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -89.02 0.73 56.42 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.585 0.754 . . . . 70.25 111.697 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 45.9 t -71.48 130.55 41.56 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.153 0.581 . . . . 70.35 110.367 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -81.18 -7.06 59.49 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.062 0.545 . . . . 75.4 111.284 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -110.25 154.43 23.43 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.964 0.905 . . . . 72.32 110.561 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.39 138.72 43.55 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.778 1.231 . . . . 73.12 112.487 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -108.77 29.19 7.68 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.713 0.805 . . . . 74.1 109.916 174.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.84 154.7 13.2 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 111.809 -0.516 . . . . 75.34 111.809 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.509 ' HA ' HD23 ' A' ' 128' ' ' LEU . 12.1 p -63.05 -32.81 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.045 0.938 . . . . 70.14 111.555 -177.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -68.05 -24.44 65.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.18 0.992 . . . . 55.44 111.588 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -86.4 -7.44 58.44 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.242 -0.885 . . . . 73.02 113.168 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 125' ' ' VAL . 4.3 mm? -67.47 110.34 3.59 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 119.73 1.15 . . . . 71.25 111.206 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.532 ' HD3' ' HB2' ' A' ' 100' ' ' LYS . 10.7 mpt_? -95.86 -179.29 4.66 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.312 1.045 . . . . 61.12 109.205 169.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.433 HD13 ' NE2' ' A' ' 139' ' ' HIS . 4.0 pp -130.28 154.17 81.39 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 114.902 -1.045 . . . . 73.02 109.721 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.67 122.93 12.48 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 122.752 2.302 . . . . 60.04 112.745 171.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -69.28 101.01 1.41 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.242 1.017 . . . . 73.53 110.656 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -74.57 123.09 88.84 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 123.516 0.726 . . . . 71.2 109.766 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.85 163.1 16.88 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 123.181 2.587 . . . . 54.02 112.871 176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -75.53 101.32 4.84 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.128 0.571 . . . . 74.42 109.906 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -179.17 -75.3 0.06 OUTLIER Glycine 0 C--N 1.34 0.796 0 N-CA-C 109.242 -1.543 . . . . 52.24 109.242 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -74.73 150.37 39.46 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.987 0.915 . . . . 64.25 109.41 170.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -73.24 166.69 22.67 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.887 0.475 . . . . 72.24 110.355 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.688 ' HB3' HG21 ' A' ' 144' ' ' THR . 48.2 t-80 -131.77 140.88 39.65 Favored Pre-proline 0 CA--C 1.555 1.159 0 N-CA-C 108.613 -0.884 . . . . 61.05 108.613 178.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -59.05 -3.42 1.6 Allowed 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 124.114 3.209 . . . . 60.01 116.496 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.629 ' HG2' ' H ' ' A' ' 143' ' ' LYS . 3.8 ttmp? -70.25 138.33 51.56 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.857 0.753 . . . . 54.2 109.62 170.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -63.0 -23.23 67.35 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.343 1.057 . . . . 74.24 112.594 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.629 ' H ' ' HG2' ' A' ' 141' ' ' LYS . 4.5 ttmp? -111.4 73.95 0.84 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.99 0.916 . . . . 62.23 109.402 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.688 HG21 ' HB3' ' A' ' 139' ' ' HIS . 45.2 p -136.35 -43.25 0.62 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.797 0.839 . . . . 73.52 110.001 177.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.0 t -78.84 152.09 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 N-CA-C 108.542 -0.911 . . . . 72.45 108.542 172.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 56.8 mt -77.16 157.56 30.87 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.984 0.513 . . . . 72.1 111.804 -175.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.2 118.66 19.16 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.386 1.074 . . . . 64.41 110.146 -175.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.57 -47.91 83.71 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.471 1.108 . . . . 75.54 111.097 -175.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.68 -43.28 97.15 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.163 -0.926 . . . . 73.12 110.924 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.83 -24.11 61.65 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.703 -0.68 . . . . 64.22 110.442 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.4 t -80.68 -34.46 34.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.458 0.703 . . . . 55.31 111.137 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.7 mtm -86.02 -52.52 5.65 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.134 0.574 . . . . 55.24 111.496 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 35.9 p -97.01 -19.47 18.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.245 0.618 . . . . 73.21 111.307 -172.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 88.66 -3.21 85.01 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-N 116.259 -0.428 . . . . 54.55 112.549 -174.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -136.58 143.16 43.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.86 0.864 . . . . 61.44 110.227 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 53.6 t -122.07 138.16 54.55 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.989 0.915 . . . . 71.41 108.929 175.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -77.02 -50.76 12.39 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.678 0.791 . . . . 74.25 111.652 -174.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' TYR . . . . . 0.441 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 35.4 m-85 -65.99 -28.87 69.22 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 113.056 0.761 . . . . 74.2 113.056 -174.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.84 -109.07 2.71 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 123.186 0.304 . . . . 65.24 113.111 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 15.0 t -72.58 -24.36 61.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.999 0.519 . . . . 64.41 110.745 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 56.5 mtp180 -77.17 -11.42 59.82 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.711 0.804 . . . . 74.45 111.769 177.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.48 137.73 48.42 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 123.064 0.545 . . . . 72.12 110.537 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.72 -49.89 48.87 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.397 -0.82 . . . . 71.13 111.19 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -93.38 151.44 19.76 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.064 0.946 . . . . 71.13 111.926 -166.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.23 129.71 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 124.517 1.127 . . . . 62.25 112.227 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -86.56 94.17 9.37 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.159 -0.682 . . . . 75.12 109.159 172.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -106.78 130.86 54.41 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.227 -1.027 . . . . 73.53 108.227 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 44.2 mm -65.97 116.65 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.935 0.494 . . . . 64.32 109.81 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 45.4 t -69.63 124.07 24.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.676 1.19 . . . . 73.25 110.363 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.53 126.28 28.83 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.663 0.785 . . . . 75.1 110.821 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 147.78 -61.8 0.44 Allowed Glycine 0 C--N 1.34 0.755 0 N-CA-C 111.145 -0.782 . . . . 51.05 111.145 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -80.04 84.11 5.82 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.649 0.78 . . . . 73.35 110.076 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.194 0 C-N-CA 124.024 0.93 . . . . 72.1 108.7 179.574 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.571 0.225 . . . . 73.11 110.513 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.28 172.79 13.3 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.811 0.844 . . . . 65.41 110.341 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.15 84.51 0.24 Allowed 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.53 0.681 . . . . 72.3 110.912 176.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -154.72 117.42 4.35 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 106.187 -1.783 . . . . 72.2 106.187 176.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt 53.47 15.77 0.78 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 126.023 1.729 . . . . 71.41 113.358 -174.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 p -85.54 0.47 52.34 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.177 0.991 . . . . 71.23 110.597 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -143.08 154.05 43.55 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.199 1.4 . . . . 50.42 108.308 172.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.25 156.36 38.57 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 121.655 0.74 . . . . 71.21 112.672 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.1 t -87.44 114.54 24.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.915 1.286 . . . . 75.05 109.642 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -68.59 -38.66 80.84 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.216 0.606 . . . . 74.31 110.901 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.85 70.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.701 0.801 . . . . 72.14 111.593 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -74.49 -33.25 62.8 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.393 0.677 . . . . 74.52 110.934 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -84.68 -26.2 27.92 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 122.623 0.369 . . . . 72.04 111.509 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -91.0 -51.74 5.19 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.957 0.503 . . . . 73.31 111.299 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.7 t -87.44 -13.51 43.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.299 0.64 . . . . 71.25 111.657 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 75.58 -65.51 0.32 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.08 1.352 . . . . 53.45 109.229 -175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.35 109.26 18.88 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.162 0.585 . . . . 71.14 109.524 170.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.0 t -70.43 132.25 45.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.72 0.808 . . . . 71.22 109.912 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.7 m -62.7 -37.76 87.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.811 0.845 . . . . 62.12 112.318 -172.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -75.73 -29.23 58.83 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.698 0.399 . . . . 71.53 110.995 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.96 -121.58 16.79 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.219 -0.446 . . . . 60.44 112.186 -177.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.04 -14.4 61.41 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.117 0.567 . . . . 71.04 111.668 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.95 -0.53 51.83 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.652 0.781 . . . . 72.24 111.332 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.1 t -71.81 128.11 34.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.712 0.805 . . . . 73.41 110.684 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -70.52 -22.48 62.62 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.049 0.94 . . . . 65.35 112.311 -175.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -103.0 161.16 13.99 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.639 0.775 . . . . 63.12 111.098 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.08 136.4 41.16 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.698 1.199 . . . . 71.33 113.112 -170.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -98.7 85.53 3.35 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.724 0.81 . . . . 63.25 109.535 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.76 157.32 33.48 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 115.667 -0.697 . . . . 75.12 111.683 -174.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.05 -23.13 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.342 0.657 . . . . 54.11 110.486 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -68.14 -37.18 80.79 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.701 -0.681 . . . . 71.14 110.966 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -85.12 -14.75 46.12 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.754 0.821 . . . . 71.4 109.225 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tt -70.7 112.52 6.99 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.365 -0.976 . . . . 64.23 108.365 174.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.26 112.85 24.92 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.047 -1.094 . . . . 63.42 108.047 175.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.0 150.64 95.0 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.552 1.141 . . . . 74.33 112.57 -171.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.18 152.37 39.87 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.504 2.136 . . . . 65.3 112.227 173.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 132' ' ' MET . 0.9 OUTLIER -92.79 56.94 2.74 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 108.412 -0.959 . . . . 74.22 108.412 176.076 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.448 ' HB2' ' HB3' ' A' ' 137' ' ' ARG . 26.0 p-10 -85.45 147.8 47.82 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 114.173 -1.376 . . . . 73.32 111.57 -169.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -80.38 168.11 18.63 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.406 2.071 . . . . 53.11 111.666 169.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -65.45 114.22 4.69 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.146 0.579 . . . . 74.41 110.124 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 124.79 -23.07 6.33 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 116.223 -0.444 . . . . 44.21 112.366 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.448 ' HB3' ' HB2' ' A' ' 133' ' ' ASN . 24.3 tpp180 -84.73 133.73 34.36 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.018 0.527 . . . . 74.52 109.738 174.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.79 146.36 54.52 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.681 0.792 . . . . 74.12 110.839 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -161.94 160.16 22.01 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 123.872 0.869 . . . . 65.43 109.974 -176.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.48 107.58 0.51 Allowed 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 121.765 1.643 . . . . 60.32 108.767 160.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -58.86 86.18 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 122.007 0.908 . . . . 70.15 112.801 -167.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.407 ' HB2' ' HB2' ' A' ' 163' ' ' GLN . 47.3 p90 -95.54 -38.7 10.31 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.043 -0.98 . . . . 72.4 110.325 -177.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -122.37 85.6 2.44 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 108.691 -0.855 . . . . 51.31 108.691 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.1 p -135.63 -47.46 0.68 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.502 1.121 . . . . 43.23 108.86 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 33.6 t -93.65 151.12 3.75 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-N 114.897 -1.047 . . . . 75.11 108.82 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.96 153.07 44.52 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.115 0.566 . . . . 73.52 110.835 176.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.76 113.94 9.32 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.602 -0.888 . . . . 75.54 108.602 171.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.42 -45.41 88.52 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.049 0.939 . . . . 73.31 112.001 -170.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.516 ' HA ' ' HE2' ' A' ' 149' ' ' LYS . 9.7 mmpt? -72.43 -41.66 65.92 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.578 -0.737 . . . . 72.44 111.577 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.487 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 46.9 t80 -71.18 -26.61 63.04 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 122.196 -0.315 . . . . 74.41 111.127 -177.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.8 p -82.47 -48.86 10.57 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.912 0.485 . . . . 54.3 111.142 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 78.5 mtm -83.65 -54.05 5.21 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.743 0.417 . . . . 73.44 111.989 -173.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 68.5 p -97.24 -8.34 30.12 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.704 0.401 . . . . 65.22 111.633 -175.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 80.8 -0.56 86.21 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 114.0 0.36 . . . . 74.44 114.0 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -134.74 125.64 27.4 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.613 0.765 . . . . 73.34 109.016 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' CYS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 52.6 t -106.57 121.76 44.96 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.176 -0.675 . . . . 71.54 109.176 176.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -23.2 60.97 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.858 0.863 . . . . 74.53 112.261 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' TYR . . . . . 0.548 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 78.8 m-85 -79.25 -32.82 43.88 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.22 0.608 . . . . 71.12 110.914 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.68 -109.38 2.72 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 116.067 -0.515 . . . . 72.13 113.341 177.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 67.7 p -72.96 -25.48 61.03 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.513 0.725 . . . . 75.23 111.014 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.3 mtm-85 -73.35 -21.35 60.56 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.665 -0.698 . . . . 75.23 110.871 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' CYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 46.1 t -71.58 118.34 14.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.545 0.738 . . . . 45.31 110.792 -178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' GLN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 142' ' ' TYR . 18.6 pm0 -92.18 -21.3 20.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.167 0.987 . . . . 62.12 110.804 -177.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -78.64 151.18 32.43 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.595 0.758 . . . . 73.53 111.416 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 30.1 mt -56.24 111.11 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.909 1.284 . . . . 65.25 112.838 -166.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -83.35 91.58 7.36 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.24 0.543 . . . . 74.1 109.61 167.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -121.2 134.46 55.2 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 123.93 0.892 . . . . 75.22 109.014 170.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 69.1 mt -72.47 99.19 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 109.067 -0.716 . . . . 60.02 109.067 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 42.8 t -81.08 109.94 15.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 108.704 -0.851 . . . . 62.53 108.704 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -84.79 149.76 25.51 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.583 0.753 . . . . 73.43 110.587 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -72.75 -16.54 77.98 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.985 -0.552 . . . . 50.23 114.246 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -95.99 150.82 20.04 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.251 0.62 . . . . 72.2 110.168 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 C-N-CA 124.003 0.921 . . . . 71.22 108.646 -179.304 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 110.883 -0.043 . . . . 64.43 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -65.91 130.26 42.66 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.216 0.606 . . . . 54.33 110.713 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.95 83.93 7.02 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 122.905 0.482 . . . . 72.43 110.48 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -117.22 83.11 1.92 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 107.801 -1.185 . . . . 71.01 107.801 171.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 67.86 28.28 7.07 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.72 1.208 . . . . 74.01 110.969 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 65.1 p -77.87 -23.22 48.89 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 114.788 -1.096 . . . . 75.15 110.461 171.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.47 156.09 45.36 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.087 1.355 . . . . 73.02 108.762 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 122' ' ' ALA . 98.7 mt -71.56 154.68 41.28 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.088 0.555 . . . . 70.31 111.159 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . 44.5 t -81.18 116.64 21.17 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.032 0.933 . . . . 73.25 110.493 -175.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.24 -42.29 94.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.171 0.988 . . . . 74.13 111.244 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.75 77.79 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.052 0.941 . . . . 74.14 111.869 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.429 ' HB3' ' HB3' ' A' ' 104' ' ' CYS . 78.9 t80 -74.63 -29.88 61.44 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.779 0.832 . . . . 71.32 111.055 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.422 ' HZ2' ' HB2' ' A' ' 108' ' ' LYS . 10.4 mtmp? -81.08 -31.49 34.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.419 0.288 . . . . 72.1 111.328 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -91.54 -50.87 5.55 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.059 0.544 . . . . 74.41 111.895 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.6 t -103.87 -12.62 16.78 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.361 0.664 . . . . 74.53 111.95 -171.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 72.24 -61.48 0.49 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.296 1.438 . . . . 65.33 110.629 -172.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.31 114.18 8.19 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.348 0.659 . . . . 62.32 110.231 172.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.1 t -93.12 126.58 38.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.259 1.024 . . . . 61.04 109.261 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.3 m -64.69 -32.03 73.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.7 0.8 . . . . 63.41 112.106 -174.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -72.81 -32.1 65.3 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.94 0.496 . . . . 64.43 111.533 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 61.11 -111.09 3.51 Favored Glycine 0 C--N 1.352 1.422 0 O-C-N 123.581 0.55 . . . . 74.35 114.167 174.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -70.62 -32.38 69.7 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.447 0.699 . . . . 74.4 110.674 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -90.46 19.5 5.21 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.074 0.949 . . . . 73.23 111.569 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.5 t -81.68 123.39 28.68 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.584 0.754 . . . . 62.01 110.278 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -88.12 16.09 6.59 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.718 0.807 . . . . 65.31 111.446 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -132.39 149.31 52.37 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.813 0.845 . . . . 61.44 109.44 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.465 ' HB3' HD23 ' A' ' 103' ' ' LEU . . . -74.44 131.45 41.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.356 1.062 . . . . 70.14 113.779 -163.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -98.77 34.71 2.0 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.099 0.96 . . . . 74.51 110.628 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 151.63 174.7 22.64 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 115.629 -0.714 . . . . 60.32 111.762 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.84 -30.13 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.336 0.654 . . . . 64.23 110.175 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -65.89 -33.35 75.63 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.383 -0.826 . . . . 62.44 110.791 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -83.09 -25.01 32.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.727 0.811 . . . . 73.44 111.07 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.3 tp -82.41 112.76 19.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.578 0.751 . . . . 74.02 111.405 -172.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.3 98.81 6.33 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 106.834 -1.543 . . . . 72.42 106.834 167.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.07 162.31 40.13 Favored Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 123.09 0.556 . . . . 62.41 111.315 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -45.97 122.76 5.53 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.765 2.31 . . . . 73.32 111.969 168.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 25.1 mmt -56.48 105.58 0.22 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.961 0.905 . . . . 74.41 112.274 -168.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -83.45 132.89 48.3 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.357 -0.838 . . . . 71.51 109.705 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.49 115.7 2.63 Favored 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 123.025 2.483 . . . . 62.12 112.198 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -84.07 5.31 26.47 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.337 0.655 . . . . 64.22 111.595 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -92.6 41.36 2.76 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 111.95 -0.46 . . . . 61.15 111.95 171.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -69.26 119.13 13.05 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 123.761 0.824 . . . . 74.4 109.238 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -141.14 151.86 44.23 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.372 0.669 . . . . 51.25 110.054 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -130.85 85.74 54.42 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 108.425 -0.954 . . . . 74.01 108.425 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -86.99 44.04 1.08 Allowed 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 123.349 2.699 . . . . 74.12 112.386 -176.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' A' ' 143' ' ' LYS . 56.2 tttp -71.43 146.77 48.46 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.812 0.845 . . . . 72.33 110.279 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -55.69 -39.88 71.59 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.823 0.849 . . . . 61.5 111.212 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.464 ' H ' ' HG2' ' A' ' 141' ' ' LYS . 47.2 mttp -101.72 91.97 4.64 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.917 0.887 . . . . 74.12 110.518 176.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 31.6 p -129.82 -43.93 1.21 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.814 0.846 . . . . 75.52 109.026 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 44.8 t -96.14 150.47 4.32 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 C-N-CA 124.49 1.116 . . . . 72.3 109.143 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.425 HD23 ' HB ' ' A' ' 165' ' ' ILE . 91.5 mt -70.78 160.04 33.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.221 0.608 . . . . 63.14 110.505 174.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 150' ' ' PHE . 24.8 t -74.76 112.7 11.24 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.067 -0.716 . . . . 73.43 109.067 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.5 -33.12 70.86 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.495 0.718 . . . . 65.3 111.365 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -63.1 -50.13 71.7 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.382 0.673 . . . . 71.3 109.888 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.525 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 57.3 t80 -67.58 -21.59 65.42 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.618 -1.174 . . . . 64.42 111.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.415 ' HA ' HG21 ' A' ' 169' ' ' VAL . 32.4 t -84.68 -44.47 13.39 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.276 0.63 . . . . 55.12 111.653 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 75.5 mtm -82.76 -46.85 12.63 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.033 0.533 . . . . 70.54 111.887 -171.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.4 p -95.89 -23.09 17.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.739 0.416 . . . . 55.4 110.216 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 93.88 -4.95 72.37 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.954 -0.566 . . . . 63.13 112.503 -176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -133.66 140.19 46.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.678 0.791 . . . . 75.22 110.995 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' CYS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 46.2 t -121.52 122.58 40.04 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.174 0.99 . . . . 72.41 108.898 176.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -73.39 -17.2 61.3 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.714 0.806 . . . . 33.41 112.346 -173.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -81.77 -40.16 23.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.163 0.585 . . . . 75.33 111.116 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.94 -113.35 5.68 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 123.384 0.428 . . . . 45.31 112.587 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 11.5 t -71.9 -16.54 62.13 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.227 0.611 . . . . 62.01 111.19 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -90.97 7.14 41.75 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.957 0.903 . . . . 74.23 111.725 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.42 130.3 34.62 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.303 0.641 . . . . 70.54 110.457 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -83.82 -4.03 58.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.716 0.406 . . . . 73.45 111.559 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.24 151.25 21.68 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.907 0.883 . . . . 70.04 110.806 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.425 ' HB ' HD23 ' A' ' 146' ' ' LEU . 33.0 mt -69.13 125.36 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.848 0.859 . . . . 74.21 111.153 -175.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -97.52 101.07 12.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.205 0.602 . . . . 75.14 110.567 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -118.19 137.19 53.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.013 0.925 . . . . 75.31 108.592 169.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 66.0 mt -67.01 104.75 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.286 0.634 . . . . 63.32 109.504 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.415 HG21 ' HA ' ' A' ' 151' ' ' SER . 54.0 t -72.77 117.3 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 115.168 -0.924 . . . . 72.54 110.403 -174.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.33 -25.77 65.28 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.592 0.757 . . . . 73.32 110.873 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -76.15 -30.42 57.2 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-N 115.615 -0.72 . . . . 71.23 113.428 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -156.94 100.35 1.88 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.941 0.496 . . . . 75.15 110.302 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.144 0.977 . . . . 74.33 108.605 174.737 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.155 -0.313 . . . . 50.23 110.155 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -85.06 172.73 11.04 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.331 1.053 . . . . 73.44 110.328 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 132' ' ' MET . . . -65.94 81.55 0.08 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.773 0.797 . . . . 71.34 110.01 174.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -156.53 128.51 7.35 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 106.494 -1.669 . . . . 73.35 106.494 -172.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 pttp 46.24 37.13 3.75 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.671 1.589 . . . . 72.31 112.465 -175.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.9 p -88.48 -13.48 40.19 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 113.994 -1.457 . . . . 63.01 110.601 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -124.72 145.0 49.93 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.624 1.17 . . . . 63.3 108.4 171.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 122' ' ' ALA . 78.9 mt -66.11 157.26 31.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.461 0.704 . . . . 72.41 112.175 -177.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.8 t -84.09 139.51 32.42 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.182 0.993 . . . . 71.42 111.187 -177.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -67.02 -41.13 87.13 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.168 0.987 . . . . 75.02 110.78 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.02 -25.77 61.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.963 0.905 . . . . 60.2 111.577 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -67.65 -32.77 73.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.803 0.841 . . . . 73.14 111.06 175.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -85.65 -50.91 6.82 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.12 0.568 . . . . 70.24 110.941 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -74.53 -51.15 15.51 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.506 0.722 . . . . 75.05 112.244 -173.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.8 m -105.07 -9.08 18.06 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.245 0.618 . . . . 74.34 111.829 -172.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 72.46 -59.93 0.55 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.399 1.48 . . . . 74.4 110.732 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.35 141.02 33.18 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.564 0.746 . . . . 73.33 110.281 170.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.1 t -105.58 125.89 51.51 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.738 0.815 . . . . 74.22 109.228 176.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.8 m -69.92 -26.95 64.39 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.554 0.742 . . . . 72.54 111.884 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' ' 119' ' ' CYS . 74.1 m-85 -75.96 -33.93 59.81 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.141 0.576 . . . . 73.44 110.898 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.02 -107.84 2.07 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 123.502 0.501 . . . . 72.34 113.099 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -80.05 -16.58 54.78 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.177 0.591 . . . . 70.31 111.363 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -78.1 -14.9 59.31 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.076 0.55 . . . . 70.13 110.985 174.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' ' 115' ' ' TYR . 42.3 t -79.04 121.49 25.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.603 0.761 . . . . 75.05 109.473 176.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -94.85 27.64 3.03 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.549 0.74 . . . . 75.23 111.237 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -130.87 145.3 51.96 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.053 0.941 . . . . 72.43 109.503 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.439 ' HB3' HD23 ' A' ' 103' ' ' LEU . . . -67.06 131.09 45.12 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.029 0.932 . . . . 44.24 113.351 -167.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -97.67 47.81 1.02 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.452 1.101 . . . . 74.4 109.278 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 134.88 164.51 10.52 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 114.862 -1.063 . . . . 74.22 111.962 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.48 -23.83 26.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.01 0.524 . . . . 61.12 111.136 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -62.5 -25.55 68.08 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.824 0.85 . . . . 72.44 111.908 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.461 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . 16.4 mm-40 -107.74 -9.58 15.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.4 0.68 . . . . 65.34 112.234 176.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -75.75 110.86 10.53 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.876 -0.787 . . . . 62.14 108.876 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.461 ' NH1' ' HA ' ' A' ' 127' ' ' GLU . 10.0 mpt_? -102.78 174.84 5.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.204 1.002 . . . . 74.4 109.266 173.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 pp -88.26 146.49 38.13 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-N 115.543 -0.753 . . . . 72.4 109.661 171.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.51 178.84 4.02 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.609 2.206 . . . . 64.22 112.687 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.536 ' HG2' ' HB2' ' A' ' 98' ' ' ALA . 32.9 mmt -66.11 153.27 42.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.163 0.585 . . . . 74.22 111.558 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -65.41 139.7 97.43 Favored Pre-proline 0 CA--C 1.553 1.075 0 CA-C-N 115.492 -0.776 . . . . 61.22 109.66 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -45.93 116.83 1.58 Allowed 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 123.721 2.947 . . . . 60.41 114.388 -177.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -142.75 -62.64 0.42 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.668 0.787 . . . . 74.12 110.844 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -136.12 23.13 3.36 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 114.801 0.68 . . . . 74.24 114.801 -167.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.64 -76.38 0.59 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.074 -1.084 . . . . 72.21 108.074 174.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -169.42 143.84 2.92 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.749 1.22 . . . . 72.01 108.803 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -84.48 160.7 56.06 Favored Pre-proline 0 N--CA 1.481 1.098 0 N-CA-C 109.196 -0.668 . . . . 71.42 109.196 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.72 81.68 1.03 Allowed 'Trans proline' 0 C--N 1.382 2.328 0 C-N-CA 121.991 1.794 . . . . 61.24 111.47 176.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -68.06 135.84 52.86 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.561 -1.199 . . . . 72.04 110.363 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -62.12 -46.61 88.25 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.654 0.782 . . . . 74.12 111.574 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.415 ' HG2' HG12 ' A' ' 165' ' ' ILE . 39.6 ttmt -93.61 75.5 4.37 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.658 0.742 . . . . 71.12 109.582 -174.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.4 p -127.79 -34.2 2.2 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 114.693 -1.139 . . . . 64.31 110.295 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 9.0 t -89.43 157.32 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 108.939 -0.763 . . . . 71.41 108.939 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 59.1 mt -69.31 155.75 39.9 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.048 0.539 . . . . 44.54 110.383 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 30.8 t -77.31 116.29 17.79 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.301 0.64 . . . . 74.21 110.481 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.07 -50.1 71.89 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.983 0.913 . . . . 73.54 110.689 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -60.84 -41.34 95.62 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.69 0.796 . . . . 71.31 110.831 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -67.27 -30.53 70.43 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.9 -0.591 . . . . 71.41 110.767 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.9 t -86.9 -28.99 22.47 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.523 0.729 . . . . 61.32 112.235 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.1 mtm -98.11 -53.21 3.44 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.988 0.515 . . . . 63.22 111.649 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 41.8 p -96.57 -0.9 48.03 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.065 0.546 . . . . 72.32 111.566 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 99.03 -44.53 1.69 Allowed Glycine 0 C--N 1.349 1.302 0 CA-C-N 116.559 -0.292 . . . . 73.32 112.65 174.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -128.45 149.86 50.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.577 0.751 . . . . 74.44 109.538 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 53.0 t -78.85 121.19 24.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.931 0.892 . . . . 65.41 110.096 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -21.75 61.84 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.137 0.575 . . . . 74.34 111.728 -177.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -71.83 -29.67 64.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.424 0.69 . . . . 72.11 111.013 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.53 -115.72 7.93 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 123.769 0.668 . . . . 72.32 113.199 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.9 t -83.57 -7.04 59.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.442 0.697 . . . . 74.24 111.507 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -98.23 12.26 35.23 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.7 0.8 . . . . 73.34 111.001 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.55 152.1 46.23 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.61 0.764 . . . . 52.33 112.52 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.08 2.79 13.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.033 0.933 . . . . 74.24 111.456 -176.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -129.53 151.45 50.14 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.817 0.847 . . . . 73.52 110.749 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.415 HG12 ' HG2' ' A' ' 143' ' ' LYS . 30.1 mt -64.29 124.27 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.231 1.012 . . . . 73.32 111.645 -173.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -86.24 95.83 9.74 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.394 0.678 . . . . 70.32 109.363 173.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -97.75 121.31 39.52 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.48 -0.563 . . . . 74.01 109.48 173.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.36 121.64 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 123.778 0.831 . . . . 72.24 109.325 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.85 119.69 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 123.903 0.881 . . . . 72.11 110.77 -174.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -76.9 -31.58 56.83 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.933 0.893 . . . . 74.55 110.901 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -88.57 -119.03 1.56 Allowed Glycine 0 C--N 1.349 1.278 0 N-CA-C 111.388 -0.685 . . . . 74.3 111.388 175.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -158.42 168.24 27.5 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.468 0.707 . . . . 64.11 109.805 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.259 0 C-N-CA 123.456 0.703 . . . . 62.2 109.462 -179.702 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 110.149 -0.315 . . . . 55.21 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -89.06 168.03 12.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.523 0.729 . . . . 73.01 110.32 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.37 68.23 9.61 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.58 0.705 . . . . 70.34 109.945 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -126.8 128.37 46.48 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.923 0.889 . . . . 54.32 110.016 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 60.32 27.91 17.5 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.259 1.423 . . . . 74.04 112.96 166.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.1 p -72.03 -26.5 62.22 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.194 0.998 . . . . 63.44 111.195 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.88 162.48 29.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.712 1.205 . . . . 73.32 108.745 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.44 156.61 38.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.215 0.606 . . . . 71.43 111.764 -177.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 51.5 t -91.09 119.68 31.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.685 1.194 . . . . 64.1 110.685 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.13 -43.6 98.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.525 0.73 . . . . 72.54 110.638 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.37 70.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.845 0.858 . . . . 73.11 112.052 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -73.05 -35.8 66.79 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.122 0.569 . . . . 63.44 110.588 176.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -81.17 -27.68 35.31 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 112.009 0.374 . . . . 71.14 112.009 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -90.91 -51.02 5.56 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.928 0.491 . . . . 75.24 111.024 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.0 m -113.12 -5.04 13.73 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.049 0.759 . . . . 64.13 113.049 -169.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 69.6 -71.35 0.12 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.063 1.345 . . . . 54.42 111.129 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.93 96.18 1.66 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.173 0.589 . . . . 75.23 110.324 176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 23.3 t -72.96 127.19 31.83 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.2 1.0 . . . . 64.5 110.054 177.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.7 t -64.69 -31.66 72.99 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.924 0.89 . . . . 74.1 112.109 -173.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -70.91 -35.31 72.23 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.025 0.53 . . . . 71.32 111.656 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.0 -109.09 2.34 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.286 0.366 . . . . 75.02 113.19 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.43 -28.63 59.43 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.641 0.777 . . . . 71.44 110.954 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -76.52 -2.35 31.87 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.486 0.715 . . . . 61.44 111.889 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 12.5 t -69.96 127.27 32.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.587 0.755 . . . . 55.13 110.733 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -88.12 11.35 16.47 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.779 0.832 . . . . 72.12 111.273 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -133.43 152.04 51.87 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.336 1.054 . . . . 64.0 109.984 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.56 137.4 37.14 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.52 1.128 . . . . 72.31 112.366 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -97.86 28.68 3.76 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.138 0.975 . . . . 70.05 109.972 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 167.56 162.08 18.54 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 115.572 -0.74 . . . . 72.23 111.336 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.41 -24.35 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.467 0.707 . . . . 74.05 110.945 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -64.19 -34.43 78.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.659 1.184 . . . . 72.12 111.109 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -93.07 2.85 56.55 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.718 -0.674 . . . . 63.32 112.28 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.1 mt -74.72 111.32 9.8 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.368 -0.604 . . . . 65.31 109.368 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -98.03 102.84 14.7 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.212 -1.032 . . . . 74.43 108.212 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.62 150.37 94.07 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 123.09 0.556 . . . . 74.35 110.686 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.89 99.63 0.33 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.024 1.816 . . . . 73.44 111.288 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -63.85 90.62 0.06 Allowed 'General case' 0 C--N 1.352 0.711 0 CA-C-N 115.631 -0.713 . . . . 64.11 110.317 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -81.12 153.89 72.19 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 124.444 1.098 . . . . 75.11 110.269 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.26 175.02 1.63 Allowed 'Trans proline' 0 C--N 1.379 2.159 0 C-N-CA 123.009 2.473 . . . . 74.44 113.573 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 64.52 77.64 0.31 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.797 1.239 . . . . 62.44 109.898 -176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.96 -75.65 0.48 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.413 -0.812 . . . . 73.21 113.15 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -127.45 139.82 52.57 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.569 -0.9 . . . . 72.44 108.569 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -83.94 84.63 7.52 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.76 -0.459 . . . . 73.11 109.76 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -99.71 113.31 64.96 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 123.573 0.749 . . . . 74.45 109.577 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -73.29 86.48 1.14 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.824 2.349 . . . . 62.34 111.28 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -77.01 147.76 36.61 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.647 -0.706 . . . . 72.43 109.851 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' A' ' 163' ' ' GLN . 14.0 p90 -56.51 -42.15 77.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.682 0.793 . . . . 64.34 111.961 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.403 ' HE2' HG12 ' A' ' 165' ' ' ILE . 1.0 OUTLIER -96.17 15.09 21.86 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.214 -0.448 . . . . 65.54 111.513 -173.391 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 76.3 p -111.72 -25.77 9.33 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.94 0.496 . . . . 75.54 110.125 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.36 142.78 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.63 0.772 . . . . 72.34 109.835 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 167' ' ' LYS . 81.0 mt -77.43 160.0 29.03 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.739 0.815 . . . . 75.24 111.548 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 54.1 t -82.77 115.6 21.76 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.225 1.01 . . . . 75.5 109.291 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.84 -53.64 55.54 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.825 0.85 . . . . 75.04 111.234 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.441 ' HE2' ' HE3' ' A' ' 157' ' ' LYS . 32.3 mmmt -59.16 -45.46 90.93 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.366 -0.834 . . . . 73.55 111.418 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.41 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 34.8 t80 -75.98 -29.23 58.14 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.997 -0.547 . . . . 65.23 110.859 -172.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 63.9 m -73.28 -32.67 64.79 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.798 0.439 . . . . 74.51 111.305 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.7 mtm -88.44 -52.76 5.01 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.84 0.456 . . . . 60.32 111.746 -174.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 61.5 p -98.22 -27.12 14.3 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.091 0.556 . . . . 60.14 111.876 -173.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 92.58 4.76 65.51 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 116.304 -0.407 . . . . 62.22 112.292 -171.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -136.23 138.83 42.25 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.125 0.97 . . . . 62.31 110.035 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 47.2 t -121.77 124.25 43.74 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.908 0.883 . . . . 71.54 109.684 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.441 ' HE3' ' HE2' ' A' ' 149' ' ' LYS . 18.3 ptpt -67.79 -24.65 65.33 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.772 0.829 . . . . 74.51 112.492 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -78.47 -24.61 45.88 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.174 0.59 . . . . 74.42 110.886 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.15 -124.63 30.51 Favored Glycine 0 C--N 1.351 1.361 0 O-C-N 123.558 0.536 . . . . 61.41 113.234 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.4 p -71.99 -20.74 61.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.401 0.68 . . . . 74.22 111.669 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -82.04 -1.49 48.6 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.477 0.711 . . . . 75.43 111.95 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.36 123.1 20.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.134 0.574 . . . . 75.0 110.309 175.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' GLN . . . . . 0.524 ' HB2' ' HB2' ' A' ' 142' ' ' TYR . 11.4 pt20 -77.08 -32.01 56.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.555 0.742 . . . . 75.24 111.502 -177.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -83.47 148.02 27.49 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.203 0.601 . . . . 73.23 111.238 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.403 HG12 ' HE2' ' A' ' 143' ' ' LYS . 59.0 mt -58.63 118.09 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.716 1.206 . . . . 72.14 111.7 -174.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -76.07 92.27 3.18 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.733 0.778 . . . . 75.11 109.712 169.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.41 ' HB2' HD22 ' A' ' 146' ' ' LEU . 28.1 tptp -95.91 125.68 40.64 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.275 -1.329 . . . . 63.4 108.213 175.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 41.2 mm -65.38 136.37 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 108.909 -0.774 . . . . 74.44 108.909 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 84.4 t -54.42 118.06 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.956 0.902 . . . . 71.1 111.287 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.71 56.33 2.63 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.634 0.773 . . . . 73.25 110.055 -176.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -87.63 66.39 3.41 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 115.538 -0.756 . . . . 45.33 111.962 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -75.12 102.78 5.04 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.351 0.66 . . . . 74.11 109.883 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.087 0 C-N-CA 123.899 0.879 . . . . 62.34 110.239 178.14 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 111.731 0.271 . . . . 73.32 111.731 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -75.12 141.15 43.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.049 0.54 . . . . 70.12 110.599 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -99.27 13.38 33.3 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.038 0.935 . . . . 72.21 111.941 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -78.23 123.51 27.01 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.865 -0.791 . . . . 72.2 108.865 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.0 pttp 47.83 47.19 18.47 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 126.195 1.798 . . . . 72.5 113.104 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.402 HG21 ' HB3' ' A' ' 131' ' ' PRO . 35.0 p -97.41 -10.7 24.97 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.478 -1.237 . . . . 73.25 111.072 175.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.17 145.02 51.79 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.785 1.234 . . . . 75.4 108.857 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.02 149.95 22.02 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.632 0.975 . . . . 73.43 113.632 -173.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . 36.3 t -84.91 113.68 21.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.586 -1.188 . . . . 71.03 108.998 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.3 -33.4 72.31 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.915 0.886 . . . . 64.22 110.838 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.5 76.12 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.428 0.691 . . . . 54.13 111.579 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.416 ' HB3' ' HB3' ' A' ' 104' ' ' CYS . 77.6 t80 -72.55 -31.41 65.25 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.844 0.857 . . . . 70.44 111.019 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -77.78 -52.82 8.31 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.125 -0.489 . . . . 64.43 111.114 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -82.31 -49.99 9.44 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.124 0.569 . . . . 64.54 111.218 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 m -101.42 -20.72 15.03 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.306 0.643 . . . . 54.13 111.989 -172.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 61.25 27.54 17.23 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.539 1.135 . . . . 54.12 111.381 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.71 122.13 7.89 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.056 0.942 . . . . 75.34 109.176 -177.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 50.8 t -119.75 126.17 50.4 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.695 0.798 . . . . 62.21 109.213 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 m -74.84 -19.08 60.32 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.659 0.784 . . . . 74.52 111.98 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -83.1 -18.61 38.95 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.355 0.662 . . . . 71.53 111.595 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.57 -135.38 33.33 Favored Glycine 0 C--N 1.35 1.355 0 O-C-N 123.431 0.457 . . . . 52.04 113.143 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -70.4 -21.19 62.88 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.231 0.612 . . . . 75.44 111.299 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -81.02 5.68 15.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.392 0.677 . . . . 75.44 111.596 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.41 132.85 52.77 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.994 0.917 . . . . 74.03 110.879 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -83.96 9.06 13.21 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.391 0.677 . . . . 61.22 111.507 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -127.74 140.83 51.82 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.021 0.928 . . . . 63.34 109.693 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.0 133.2 47.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.846 1.258 . . . . 70.31 112.976 -171.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -95.04 46.0 1.11 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.753 0.821 . . . . 73.4 110.788 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.53 173.33 13.35 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 115.984 -0.553 . . . . 73.34 112.555 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.78 -25.07 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.267 0.627 . . . . 72.14 111.007 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -69.78 -26.78 64.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.545 0.738 . . . . 70.42 110.782 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -91.18 -12.13 36.29 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.377 0.671 . . . . 72.31 111.962 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.25 110.34 9.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.19 0.519 . . . . 64.11 110.371 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.94 149.33 41.77 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 107.388 -1.338 . . . . 75.3 107.388 169.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.51 143.74 55.8 Favored Pre-proline 0 CA--C 1.556 1.209 0 N-CA-C 110.354 -0.239 . . . . 75.24 110.354 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.402 ' HB3' HG21 ' A' ' 101' ' ' THR . 42.4 Cg_endo -91.36 21.87 0.75 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 123.727 2.951 . . . . 74.1 112.949 -176.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 132' ' ' MET . 0.3 OUTLIER 60.76 47.37 8.03 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.742 1.217 . . . . 75.52 110.241 -176.595 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -65.96 151.8 94.6 Favored Pre-proline 0 CA--C 1.556 1.202 0 CA-C-N 113.708 -1.587 . . . . 72.54 110.768 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.19 142.63 45.01 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 123.638 2.892 . . . . 44.34 114.386 -175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -77.68 93.98 4.35 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.62 -0.881 . . . . 73.44 108.62 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -125.6 43.55 1.36 Allowed Glycine 0 C--N 1.34 0.761 0 N-CA-C 111.123 -0.791 . . . . 71.43 111.123 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -139.2 123.83 18.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.986 0.914 . . . . 71.41 109.469 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -91.81 155.75 18.01 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.397 0.679 . . . . 72.01 111.018 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 56.3 p-80 -109.26 160.96 25.66 Favored Pre-proline 0 N--CA 1.482 1.143 0 C-N-CA 123.833 0.853 . . . . 73.43 109.807 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.3 91.78 0.09 OUTLIER 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.568 2.179 . . . . 62.2 111.741 169.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -100.17 105.67 17.3 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.862 0.865 . . . . 53.22 109.669 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -135.74 -40.25 0.7 Allowed 'General case' 0 C--O 1.242 0.666 0 C-N-CA 123.927 0.891 . . . . 74.55 109.793 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -84.6 52.66 2.44 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 121.638 0.732 . . . . 71.23 109.465 171.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 41.2 p -118.55 -32.0 4.72 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.933 1.293 . . . . 65.53 108.782 175.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 45.4 t -85.31 141.87 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.858 0.863 . . . . 73.04 109.369 175.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 67.7 mt -76.19 155.53 34.45 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.776 0.43 . . . . 61.33 110.782 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 25.8 t -81.03 115.94 20.74 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.703 0.801 . . . . 74.32 110.634 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.35 -40.75 97.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.675 1.19 . . . . 63.34 110.738 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -61.94 -50.57 71.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.818 0.847 . . . . 61.21 110.863 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 33.1 t80 -68.65 -27.72 66.25 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.939 0.896 . . . . 72.03 110.298 -176.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.496 ' HA ' HG21 ' A' ' 169' ' ' VAL . 46.8 t -71.92 -45.52 60.9 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.65 0.78 . . . . 74.43 111.387 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 56.4 mtm -81.31 -53.59 6.2 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.605 0.362 . . . . 72.45 111.917 -173.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.8 p -96.47 -0.78 48.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.984 -0.553 . . . . 75.42 111.887 -168.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 93.1 -44.58 2.49 Favored Glycine 0 C--N 1.349 1.267 0 N-CA-C 112.427 -0.269 . . . . 71.13 112.427 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -122.39 157.65 31.41 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.855 0.862 . . . . 74.11 110.119 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 42.9 t -100.98 122.74 44.05 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.986 0.915 . . . . 71.34 109.075 177.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -66.0 -25.3 67.02 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.252 0.621 . . . . 60.03 111.889 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -67.71 -34.22 76.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.595 0.758 . . . . 72.21 110.832 176.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 68.7 -127.68 22.99 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 123.701 0.625 . . . . 51.31 112.807 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 36.7 p -77.79 -4.8 48.27 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.035 0.534 . . . . 73.35 111.521 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -88.98 3.75 50.53 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.328 0.651 . . . . 61.52 110.976 172.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 41.9 t -81.19 143.73 32.13 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.411 0.684 . . . . 74.11 110.351 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -104.57 16.07 26.81 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.78 0.832 . . . . 70.35 110.965 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -126.98 150.65 49.3 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.102 0.961 . . . . 64.4 110.731 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.15 129.98 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.067 0.947 . . . . 73.53 111.403 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -104.27 94.81 5.55 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.927 0.891 . . . . 63.2 109.496 174.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -112.64 131.23 55.73 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 108.364 -0.976 . . . . 64.21 108.364 171.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 2.0 mp -67.55 112.14 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.514 0.726 . . . . 71.2 109.118 -174.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' VAL . . . . . 0.496 HG21 ' HA ' ' A' ' 151' ' ' SER . 60.1 t -64.88 131.98 30.69 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.435 1.094 . . . . 73.14 111.357 -171.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -139.11 -50.75 0.53 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.172 0.989 . . . . 73.32 109.391 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -76.5 76.11 1.55 Allowed Glycine 0 C--N 1.346 1.119 0 CA-C-N 115.637 -0.71 . . . . 73.13 112.253 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -75.67 -18.33 59.67 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.09 0.956 . . . . 73.34 111.945 -177.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 C-N-CA 124.184 0.994 . . . . 63.32 108.828 -179.87 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.422 ' HB3' ' SD ' ' A' ' 132' ' ' MET . 53.0 p . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.602 -0.518 . . . . 74.42 109.602 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -87.1 171.74 10.48 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.241 1.016 . . . . 62.02 110.602 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.84 -17.85 52.24 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.024 0.53 . . . . 71.24 110.712 168.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -74.2 132.44 42.18 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.153 0.981 . . . . 53.24 112.339 -176.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.53 ' HB2' ' HB2' ' A' ' 129' ' ' ARG . 29.5 mmtp 65.36 17.92 11.15 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.345 1.858 . . . . 63.01 112.243 169.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 p -70.86 -34.32 71.51 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.739 0.816 . . . . 42.35 112.194 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -128.53 160.59 31.86 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.069 0.948 . . . . 63.34 109.293 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.1 152.48 42.32 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.181 0.515 . . . . 52.13 111.17 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.3 t -86.38 111.27 20.33 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.348 1.059 . . . . 61.31 109.647 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.86 -45.51 93.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.928 0.891 . . . . 73.12 110.17 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.83 74.6 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.323 1.015 . . . . 72.43 111.753 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.38 -62.52 1.55 Allowed 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.598 -0.728 . . . . 64.33 110.216 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -64.51 -37.29 87.03 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.58 0.752 . . . . 74.13 113.011 -168.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -66.8 -33.93 76.69 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.067 0.547 . . . . 63.0 111.737 -175.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.3 p -113.43 -1.3 14.21 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.321 0.649 . . . . 72.2 111.901 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 67.76 19.2 9.7 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.271 1.428 . . . . 74.42 112.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.47 140.68 6.11 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.7 1.2 . . . . 65.52 109.256 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.83 126.75 52.22 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.33 -0.619 . . . . 52.32 109.33 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 p -65.28 -36.44 84.11 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.775 0.83 . . . . 74.15 111.616 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -71.62 -39.83 70.19 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.652 0.781 . . . . 74.33 110.823 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.86 -98.97 0.23 Allowed Glycine 0 C--N 1.348 1.218 0 CA-C-N 115.714 -0.675 . . . . 64.12 113.029 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -79.32 -22.73 44.14 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.366 0.667 . . . . 62.11 111.294 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -87.94 10.66 18.05 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.181 0.592 . . . . 74.41 111.445 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 47.6 t -85.52 134.67 34.02 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.085 0.554 . . . . 75.42 110.029 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -91.55 -2.77 57.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.65 0.78 . . . . 73.4 111.91 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -115.15 153.07 31.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.516 0.726 . . . . 73.31 110.361 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.77 141.18 46.28 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.967 0.907 . . . . 72.42 112.237 -174.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -101.86 29.53 4.93 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.96 0.904 . . . . 72.41 111.151 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.81 165.57 23.37 Favored Glycine 0 C--N 1.339 0.709 0 CA-C-N 115.617 -0.72 . . . . 62.14 111.495 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.98 -37.13 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.291 0.636 . . . . 74.43 109.827 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -66.96 -28.29 68.16 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 114.862 -1.063 . . . . 73.01 110.968 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 -13.65 47.08 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.855 1.262 . . . . 73.02 110.491 -174.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.15 123.9 19.78 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.839 0.856 . . . . 72.25 112.601 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.53 ' HB2' ' HB2' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -111.35 74.2 0.86 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 106.608 -1.627 . . . . 63.52 106.608 161.62 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 pp -73.98 153.69 88.81 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 115.645 -0.707 . . . . 61.21 110.819 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.71 145.69 58.22 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.13 1.887 . . . . 72.22 111.239 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 132' ' ' MET . 0.9 OUTLIER -79.11 75.41 5.64 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.614 0.721 . . . . 53.34 109.108 -176.675 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -133.85 111.7 12.35 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-N 114.804 -1.089 . . . . 71.05 108.981 -173.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.86 163.81 34.78 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.591 2.194 . . . . 63.55 111.47 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -72.95 91.39 1.54 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.384 0.612 . . . . 64.55 110.382 -175.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -130.35 150.22 19.14 Favored Glycine 0 C--N 1.34 0.786 0 CA-C-N 114.879 -1.055 . . . . 75.34 111.057 177.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -159.81 136.94 9.49 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.336 0.654 . . . . 74.32 109.496 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -77.54 77.8 4.06 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.241 -1.022 . . . . 42.13 108.241 169.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -77.19 144.71 71.79 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 114.771 -1.104 . . . . 71.11 110.559 -176.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.81 87.18 0.69 Allowed 'Trans proline' 0 C--N 1.376 2.021 0 C-N-CA 122.497 2.132 . . . . 75.14 112.202 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.594 ' HB3' HG23 ' A' ' 144' ' ' THR . 38.5 ttpt -98.38 154.65 17.69 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.331 1.053 . . . . 64.35 108.628 173.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -36.89 71.72 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.988 0.515 . . . . 73.55 111.704 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -105.77 66.31 0.73 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.584 0.707 . . . . 73.14 110.501 176.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.594 HG23 ' HB3' ' A' ' 141' ' ' LYS . 45.9 p -127.74 -3.15 5.96 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.122 0.969 . . . . 52.14 109.745 163.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 92.2 t -124.93 141.87 43.63 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.603 1.161 . . . . 63.22 108.885 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.0 mt -72.17 160.6 32.17 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.662 0.785 . . . . 74.42 111.148 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.43 115.0 11.17 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 123.634 0.774 . . . . 60.33 110.89 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.47 -32.38 73.96 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.986 0.914 . . . . 74.33 110.825 -177.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -71.72 -40.17 69.64 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.612 -0.722 . . . . 73.24 110.985 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -70.72 -30.58 67.16 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.942 -177.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.7 p -85.82 -51.73 6.21 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.403 0.681 . . . . 62.41 111.621 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.0 mtm -81.29 -52.65 7.08 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.72 0.408 . . . . 52.44 111.702 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 82.7 p -96.6 -1.48 46.81 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.582 0.353 . . . . 63.02 111.525 -174.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 94.53 -43.02 2.37 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 116.258 -0.428 . . . . 52.24 113.88 169.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -128.11 161.6 28.86 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 117.098 0.449 . . . . 61.1 110.962 -175.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 49.5 t -121.05 121.95 39.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.411 1.085 . . . . 64.51 108.731 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -78.82 -28.44 44.43 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.25 0.62 . . . . 74.01 111.896 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -72.66 -41.78 65.04 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.087 0.555 . . . . 73.31 111.171 -175.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.79 -103.23 0.8 Allowed Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.732 -0.667 . . . . 64.44 112.495 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.9 t -73.69 -21.12 60.34 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.708 0.803 . . . . 61.13 111.273 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -88.23 -0.75 57.47 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.723 0.809 . . . . 73.12 111.457 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.47 141.81 37.97 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.273 0.629 . . . . 64.01 109.97 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 20.4 pm0 -97.71 -12.84 21.88 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.336 0.655 . . . . 73.01 111.517 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.56 150.96 20.54 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.912 0.885 . . . . 74.34 110.543 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.2 127.37 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.978 0.911 . . . . 64.34 111.279 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -93.04 94.65 8.99 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.331 -0.618 . . . . 74.53 109.331 170.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -107.89 129.85 55.06 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 108.384 -0.969 . . . . 71.12 108.384 173.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 41.6 mm -71.49 98.66 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 108.568 -0.901 . . . . 75.15 108.568 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.21 110.11 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.185 -0.672 . . . . 74.05 109.185 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -96.55 106.28 18.51 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.355 -0.98 . . . . 74.41 108.355 176.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 81.58 89.24 0.61 Allowed Glycine 0 C--N 1.344 1.008 0 O-C-N 123.544 0.527 . . . . 74.21 111.831 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -74.04 -41.29 62.01 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.354 0.661 . . . . 74.15 111.232 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 C-N-CA 123.298 0.639 . . . . 75.24 110.142 -178.552 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 110.501 -0.185 . . . . 71.31 110.501 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -80.6 162.78 24.08 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.813 0.845 . . . . 64.14 109.849 173.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.01 92.22 1.28 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.292 0.637 . . . . 41.4 111.185 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -125.04 110.65 14.44 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.845 0.858 . . . . 73.2 110.24 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 127' ' ' GLU . 72.2 mmtt 70.82 -9.29 0.84 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.489 1.515 . . . . 52.24 114.162 166.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.4 p -72.71 -10.84 60.26 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.872 0.869 . . . . 53.4 111.806 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.11 149.7 46.18 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.739 1.215 . . . . 71.04 108.642 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 122' ' ' ALA . 82.0 mt -75.55 159.15 31.57 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.685 0.794 . . . . 63.21 111.492 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 38.0 t -81.81 122.7 28.04 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.568 -1.197 . . . . 72.24 109.841 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.81 -38.79 89.44 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.56 0.744 . . . . 62.11 111.652 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.69 83.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.896 0.878 . . . . 70.43 110.848 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -70.44 -40.67 73.64 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.694 0.798 . . . . 63.24 111.307 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -71.21 -39.65 71.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.512 0.325 . . . . 60.14 111.71 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -90.63 -51.12 5.55 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.047 0.539 . . . . 74.54 111.745 -174.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.0 m -111.65 -16.56 13.21 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.299 0.64 . . . . 74.44 112.359 -169.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 75.08 -46.88 0.6 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 126.189 1.796 . . . . 75.13 111.912 -173.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.23 112.86 7.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.445 0.698 . . . . 53.11 111.17 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 51.8 t -99.33 126.79 45.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.127 0.971 . . . . 64.3 109.437 176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.1 t -65.96 -38.71 89.27 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.856 0.862 . . . . 64.2 111.774 -176.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -73.56 -30.87 63.32 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.869 0.468 . . . . 74.23 111.019 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.63 -119.51 10.15 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 116.05 -0.523 . . . . 74.54 112.764 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.35 -7.45 58.36 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.017 0.527 . . . . 74.34 111.747 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -91.41 1.56 57.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.179 0.592 . . . . 74.52 110.9 173.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.6 t -74.34 122.82 23.51 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.107 0.963 . . . . 72.52 109.807 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.457 ' HD3' ' H ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -73.2 -25.82 60.92 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.569 0.348 . . . . 73.52 111.58 -178.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.34 158.96 18.27 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.944 0.497 . . . . 70.22 111.208 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.455 ' HB3' HD23 ' A' ' 103' ' ' LEU . . . -77.7 138.17 38.91 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.287 1.035 . . . . 52.33 112.943 -168.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -105.46 43.87 1.08 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.732 0.813 . . . . 63.45 110.177 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.14 169.19 13.9 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 115.412 -0.813 . . . . 64.4 111.917 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.26 -23.87 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 123.255 0.622 . . . . 70.13 111.095 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -66.31 -31.43 72.23 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.623 0.769 . . . . 74.44 110.888 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 100' ' ' LYS . 49.7 mt-10 -92.39 -24.96 18.71 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.742 0.817 . . . . 63.31 111.075 174.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 43.0 tp -70.38 114.26 8.33 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.208 0.527 . . . . 73.12 110.898 -174.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -97.84 140.67 31.86 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 124.574 1.149 . . . . 71.25 108.828 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.78 137.24 54.43 Favored Pre-proline 0 CA--C 1.55 0.945 0 N-CA-C 109.727 -0.471 . . . . 74.03 109.727 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.83 124.42 14.93 Favored 'Trans proline' 0 C--N 1.374 1.913 0 C-N-CA 122.951 2.434 . . . . 73.35 111.772 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 24.5 mmt -78.57 110.5 13.73 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.034 0.534 . . . . 74.43 109.987 -177.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -146.02 155.97 51.19 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.836 0.854 . . . . 72.41 109.996 -176.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.86 117.77 4.61 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.486 2.124 . . . . 64.0 110.822 170.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -67.33 134.38 51.42 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.443 0.697 . . . . 60.24 110.656 -175.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -111.06 28.77 9.42 Favored Glycine 0 C--N 1.345 1.06 0 O-C-N 123.197 0.311 . . . . 63.32 113.391 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -103.48 139.65 38.55 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.415 0.686 . . . . 73.55 109.841 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -81.18 125.01 29.75 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.981 0.512 . . . . 75.51 110.164 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 -138.13 160.25 64.99 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.142 0.977 . . . . 74.44 108.915 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.48 84.22 0.21 Allowed 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.529 2.153 . . . . 73.22 112.131 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -81.56 78.66 8.28 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.87 0.868 . . . . 74.33 109.431 176.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -63.29 -49.71 72.95 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.638 -1.164 . . . . 73.31 110.145 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.573 ' HB3' HG12 ' A' ' 165' ' ' ILE . 32.8 mmtp -83.88 97.39 9.19 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.325 -0.991 . . . . 72.42 108.325 172.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 2.5 t -127.72 -48.68 1.38 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.355 0.662 . . . . 74.43 111.759 -174.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.39 140.94 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 109.008 -0.738 . . . . 74.24 109.008 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.84 152.39 44.61 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.329 0.651 . . . . 74.33 111.812 -177.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 15.0 t -84.66 115.43 22.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.84 0.856 . . . . 75.55 109.294 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.16 -48.43 81.61 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.112 0.965 . . . . 73.14 110.552 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -70.78 -40.88 72.33 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.108 -0.951 . . . . 73.41 111.45 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -69.56 -25.98 64.26 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 122.209 0.204 . . . . 61.35 110.858 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.8 p -86.78 -42.81 13.01 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.193 0.597 . . . . 62.54 111.693 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 59.8 mtm -85.15 -54.24 4.75 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.023 0.379 . . . . 63.23 112.023 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 62.7 p -96.26 -18.52 19.97 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.957 0.503 . . . . 62.52 110.7 -173.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 98.37 -23.7 35.06 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 115.94 -0.573 . . . . 61.52 113.035 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -124.87 132.24 53.34 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.099 0.559 . . . . 63.11 110.864 -171.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 35.4 t -110.98 122.84 48.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.488 1.115 . . . . 65.11 108.816 175.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.77 -30.72 69.38 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.781 0.832 . . . . 74.34 112.214 -174.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -73.19 -40.26 64.92 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.321 0.648 . . . . 74.24 110.768 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.04 -101.92 0.47 Allowed Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.584 -0.735 . . . . 41.44 112.706 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.7 p -81.29 -7.19 59.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.733 0.813 . . . . 72.32 111.918 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -96.3 -4.56 41.93 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.51 0.724 . . . . 72.31 111.132 173.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 53.1 t -79.49 117.22 20.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.196 0.598 . . . . 51.11 110.127 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.42 -18.12 60.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.321 0.648 . . . . 75.11 111.453 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -81.13 149.15 29.28 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.967 0.907 . . . . 73.23 111.854 -177.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.573 HG12 ' HB3' ' A' ' 143' ' ' LYS . 50.9 mt -64.86 112.71 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.49 1.116 . . . . 60.12 110.725 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -73.37 93.02 1.88 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.672 0.748 . . . . 64.35 109.562 170.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -121.2 135.69 55.1 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.086 -1.415 . . . . 75.41 110.299 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 45.3 mm -101.3 130.61 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 108.233 -1.025 . . . . 71.13 108.233 169.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.29 126.91 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.312 0.645 . . . . 64.22 110.516 -177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -65.21 120.07 12.04 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.869 0.867 . . . . 73.34 111.089 -175.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 132.45 -118.71 2.29 Favored Glycine 0 C--N 1.344 1.007 0 N-CA-C 110.879 -0.889 . . . . 75.44 110.879 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -123.3 101.86 7.6 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.928 0.891 . . . . 64.35 108.676 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 C-N-CA 123.813 0.845 . . . . 73.41 109.295 -176.901 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.474 -0.195 . . . . 75.01 110.474 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -57.1 135.16 56.34 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.157 0.983 . . . . 72.21 112.596 -169.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 77.98 -32.0 0.17 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 126.229 1.811 . . . . 62.1 113.287 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -86.45 94.87 9.51 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 109.159 -0.682 . . . . 75.02 109.159 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 128' ' ' LEU . 54.0 mtmt 69.55 9.0 7.05 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.538 1.535 . . . . 64.21 113.548 174.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -73.63 -16.33 61.23 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.947 0.499 . . . . 74.54 111.115 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.04 158.02 45.42 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.421 1.089 . . . . 71.42 108.958 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.3 mt -76.79 151.78 35.83 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.973 0.509 . . . . 74.35 111.072 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 25.2 t -77.45 122.11 24.75 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.245 1.018 . . . . 54.01 108.921 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 109' ' ' ARG . 28.2 t70 -65.4 -42.8 92.22 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.839 0.456 . . . . 54.23 110.816 -176.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.27 65.44 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.329 1.052 . . . . 42.44 112.039 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -68.25 -40.86 81.83 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.58 0.752 . . . . 71.02 110.557 176.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -73.4 -24.29 60.27 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 116.385 -0.37 . . . . 74.22 111.483 -176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 30.9 mmt180 -89.86 -46.66 8.4 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.063 0.545 . . . . 61.44 111.01 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 t -107.19 -7.62 16.74 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.901 0.704 . . . . 75.22 112.901 -168.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 67.85 -71.76 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.631 1.172 . . . . 73.33 109.934 -171.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.01 101.62 5.32 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.235 0.614 . . . . 74.3 109.349 172.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 41.2 t -80.75 125.74 30.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.519 0.728 . . . . 73.44 109.546 177.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.7 t -64.68 -32.05 73.54 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.232 1.013 . . . . 64.4 112.193 -172.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.646 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 72.4 m-85 -63.32 -44.17 95.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.931 0.492 . . . . 75.44 111.262 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.32 -112.07 4.69 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 111.546 -0.622 . . . . 73.25 111.546 -172.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -80.44 -8.13 59.42 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.189 0.596 . . . . 75.51 111.712 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -76.56 -11.88 59.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.286 0.634 . . . . 71.32 111.442 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.646 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 63.9 m -72.62 131.35 42.32 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 123.004 0.521 . . . . 70.12 110.217 169.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -77.71 -31.51 52.35 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.235 -0.654 . . . . 75.42 109.235 168.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -79.74 159.63 26.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.998 0.919 . . . . 72.4 111.531 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 127' ' ' GLU . . . -76.17 142.16 41.65 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.57 1.148 . . . . 53.11 112.049 -173.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -104.99 29.25 6.48 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.129 0.972 . . . . 75.41 109.796 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.43 148.95 9.78 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 115.568 -0.742 . . . . 64.42 111.566 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 67.3 t -66.42 -33.98 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.645 0.778 . . . . 64.03 110.547 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -65.65 -23.63 66.85 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.93 -0.577 . . . . 63.14 111.54 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.434 ' HB2' ' HB1' ' A' ' 122' ' ' ALA . 35.3 mt-10 -87.96 -10.39 50.65 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.685 0.794 . . . . 74.45 111.801 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.422 ' HA ' ' O ' ' A' ' 100' ' ' LYS . 62.2 mt -64.47 114.2 4.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.079 0.552 . . . . 43.41 111.238 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -92.64 138.37 31.56 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.223 1.009 . . . . 73.52 110.084 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -84.55 155.53 62.38 Favored Pre-proline 0 CA--C 1.551 1.019 0 N-CA-C 109.087 -0.709 . . . . 71.15 109.087 169.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -57.68 99.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.604 2.203 . . . . 62.03 111.837 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 40.8 mtm -82.57 14.85 2.85 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.447 1.099 . . . . 61.42 111.604 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.04 160.89 43.98 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 125.083 1.353 . . . . 73.35 110.22 170.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.31 91.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.383 2.356 0 C-N-CA 122.319 2.013 . . . . 63.12 110.796 168.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -81.35 156.13 25.62 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.779 -1.101 . . . . 73.21 110.797 -167.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.43 89.76 0.14 Allowed Glycine 0 C--N 1.348 1.221 0 O-C-N 123.544 0.528 . . . . 73.31 112.439 176.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -99.33 118.58 36.3 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 108.795 -0.817 . . . . 75.04 108.795 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -81.44 167.97 18.82 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 123.021 0.528 . . . . 73.1 110.984 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -89.02 110.12 35.71 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 115.1 -0.955 . . . . 75.24 109.07 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -78.3 77.75 3.87 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.686 2.257 . . . . 51.54 111.835 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -82.47 88.11 6.62 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.812 0.845 . . . . 74.43 109.164 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -78.49 -66.34 0.87 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.847 0.459 . . . . 65.54 110.514 -173.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.508 ' HB3' HG12 ' A' ' 165' ' ' ILE . 5.8 mptp? -77.39 85.58 3.79 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.02 -0.733 . . . . 64.12 109.02 172.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 2.1 t -103.34 -49.24 3.77 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.745 0.818 . . . . 74.13 111.549 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 51.4 t -105.06 148.96 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.685 0.794 . . . . 70.34 109.039 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.35 155.08 38.35 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.179 0.592 . . . . 55.04 110.889 176.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 13.9 t -86.0 113.94 22.49 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.569 -0.9 . . . . 72.42 108.569 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.89 -46.6 74.41 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.485 0.714 . . . . 72.42 111.292 -173.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -62.26 -44.77 95.79 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.601 0.76 . . . . 63.14 111.022 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -70.66 -23.05 62.44 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.293 -0.412 . . . . 75.43 110.711 -175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 56.8 m -80.13 -50.21 10.62 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.692 0.397 . . . . 61.52 111.107 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.2 mtm -76.46 -51.27 12.1 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.262 0.625 . . . . 74.22 112.127 -170.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 59.8 p -97.03 -21.18 17.55 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.94 0.496 . . . . 73.41 110.855 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 89.09 1.79 78.74 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 116.174 -0.466 . . . . 72.3 112.596 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -133.43 129.59 37.51 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.927 0.891 . . . . 71.02 109.615 -173.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 50.8 t -104.41 122.7 46.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.632 0.773 . . . . 74.25 110.132 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -23.82 62.0 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.362 1.065 . . . . 72.33 112.656 -178.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -80.26 -40.75 26.34 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.103 0.561 . . . . 75.41 110.335 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.43 -102.86 0.79 Allowed Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.793 -0.64 . . . . 45.32 113.595 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.4 p -79.1 -22.79 44.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.883 0.873 . . . . 71.53 111.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -78.19 -12.38 59.99 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.546 0.738 . . . . 70.54 110.747 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 164' ' ' PHE . 35.1 t -73.34 118.55 16.42 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.583 0.753 . . . . 64.14 110.748 -176.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -86.33 3.03 45.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.646 0.778 . . . . 62.25 110.843 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' PHE . . . . . 0.454 ' HB2' ' SG ' ' A' ' 162' ' ' CYS . 81.3 m-85 -101.86 151.03 22.56 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.138 0.975 . . . . 62.43 111.519 -171.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.508 HG12 ' HB3' ' A' ' 143' ' ' LYS . 60.7 mt -67.15 112.79 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 124.847 1.259 . . . . 60.22 111.244 -176.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -87.36 95.65 10.08 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.328 0.651 . . . . 74.51 110.167 174.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -117.67 132.15 56.53 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.26 0.624 . . . . 74.45 109.756 172.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 64.5 mt -80.01 104.69 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.86 0.864 . . . . 63.15 109.483 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 47.7 t -73.55 115.49 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.67 0.788 . . . . 73.13 109.843 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.58 144.25 46.09 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.632 0.773 . . . . 70.42 111.192 -176.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 132.81 -78.08 0.37 Allowed Glycine 0 C--N 1.342 0.865 0 N-CA-C 110.394 -1.083 . . . . 55.33 110.394 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -74.65 -34.18 62.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.433 0.693 . . . . 60.31 109.479 172.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 N-CA-C 108.567 -0.901 . . . . 50.41 108.567 169.387 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 120' ' ' ARG . 67.3 m-85 . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 121.116 0.484 . . . . 72.11 111.746 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 127' ' ' GLU . 67.7 mmtt 68.98 10.94 8.19 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.065 1.746 . . . . 70.13 114.067 161.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.1 p -87.09 -6.88 58.53 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.463 0.705 . . . . 62.12 111.66 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.72 155.71 41.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.279 1.032 . . . . 71.43 109.391 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.21 158.0 33.66 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.687 0.795 . . . . 73.25 111.384 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 46.6 t -87.19 112.88 22.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.952 0.901 . . . . 74.13 110.886 -176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.42 -43.04 93.14 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.065 0.946 . . . . 74.4 111.333 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.4 87.3 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.821 0.849 . . . . 63.52 111.467 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.33 -36.59 66.23 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.006 0.522 . . . . 75.11 111.015 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -74.36 -45.05 49.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.714 0.406 . . . . 72.14 111.457 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -90.56 -50.48 5.91 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.301 0.64 . . . . 72.33 112.017 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.3 t -100.17 -16.22 17.87 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.196 0.599 . . . . 74.33 111.861 -173.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 75.14 -50.88 0.66 Allowed 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 125.75 1.62 . . . . 71.24 111.71 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.41 133.55 48.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.527 0.731 . . . . 71.05 110.655 173.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.5 t -118.95 128.86 54.8 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.193 -1.04 . . . . 53.14 108.193 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 m -60.71 -33.86 73.52 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.082 0.953 . . . . 64.34 112.891 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -92.78 -18.71 22.57 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.341 0.656 . . . . 70.23 111.683 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.77 -122.85 12.37 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-O 119.879 -0.4 . . . . 52.33 112.633 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.36 -11.94 59.98 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.501 0.721 . . . . 72.34 111.771 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -90.84 11.01 23.9 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.445 0.698 . . . . 71.23 111.292 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 38.6 t -68.45 125.75 27.45 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.036 0.934 . . . . 73.41 110.724 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 99' ' ' PHE . 38.8 ptt180 -68.68 -9.69 51.77 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.455 0.702 . . . . 72.11 111.653 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -104.21 159.94 15.28 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.361 0.664 . . . . 73.11 110.948 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.55 131.89 35.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.483 1.113 . . . . 64.31 111.677 -174.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -100.49 31.22 3.54 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.845 0.858 . . . . 73.2 110.705 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 166.77 168.8 29.5 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 111.699 -0.561 . . . . 64.24 111.699 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.12 -30.58 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.524 0.73 . . . . 71.22 110.831 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -71.23 -34.92 71.23 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.36 0.664 . . . . 74.33 110.251 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 100' ' ' LYS . 17.7 mm-40 -75.42 -24.89 57.17 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.263 -0.88 . . . . 74.01 110.753 174.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.7 tp -80.29 113.14 18.25 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.421 0.688 . . . . 71.11 110.789 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 107.45 -1.315 . . . . 74.42 107.45 168.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.6 t . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 108.61 -0.885 . . . . 43.23 108.61 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.466 HD23 ' HB ' ' A' ' 165' ' ' ILE . 83.5 mt -65.1 151.08 46.94 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.622 0.646 . . . . 73.25 111.867 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 9.8 t -87.98 113.1 23.29 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.636 0.774 . . . . 61.44 109.131 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -74.98 -37.75 61.83 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.197 0.599 . . . . 74.54 111.082 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -64.21 -42.0 96.8 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.488 0.715 . . . . 74.21 110.729 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -69.15 -24.22 64.06 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.507 -0.769 . . . . 71.52 110.705 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.8 t -85.17 -31.98 22.94 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.317 0.647 . . . . 75.1 111.614 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.2 mtm -90.24 -54.11 4.16 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.797 0.439 . . . . 74.24 111.598 -175.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 68.3 p -98.18 -10.08 24.69 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.203 0.601 . . . . 61.31 111.513 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 79.64 3.3 88.93 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 116.206 -0.452 . . . . 70.1 113.003 -176.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -137.68 134.95 36.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.329 0.651 . . . . 73.44 110.727 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 32.0 t -121.41 122.1 39.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.739 1.215 . . . . 65.43 108.107 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -70.14 -25.75 63.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.294 0.638 . . . . 73.34 112.593 -169.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -74.22 -35.97 63.92 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.212 0.605 . . . . 74.44 111.117 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.39 -109.07 2.71 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-N 115.833 -0.621 . . . . 71.53 112.434 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.9 p -74.14 -25.11 59.56 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.251 0.62 . . . . 72.41 111.137 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -72.94 -16.78 61.53 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.926 0.89 . . . . 72.33 111.624 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.11 125.91 25.43 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.651 0.781 . . . . 73.12 111.441 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -82.07 3.67 25.95 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.809 0.844 . . . . 74.31 111.183 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -117.95 147.17 43.42 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.154 0.982 . . . . 73.5 110.98 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.466 ' HB ' HD23 ' A' ' 146' ' ' LEU . 59.5 mt -71.76 117.35 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.795 1.238 . . . . 62.31 110.989 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -78.62 94.28 5.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.04 0.536 . . . . 70.11 109.679 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm . . . . . 0 C--O 1.24 0.56 0 CA-C-N 115.197 -0.911 . . . . 74.44 109.067 177.322 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.3 t80 . . . . . 0 C--O 1.237 0.412 0 N-CA-C 108.44 -0.948 . . . . 73.0 108.44 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt 66.23 16.04 10.3 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.85 1.26 . . . . 75.43 111.525 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.4 p -80.68 -20.11 43.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.46 1.104 . . . . 72.32 110.271 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.51 165.41 24.94 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.62 1.168 . . . . 64.51 108.846 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.76 157.98 28.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.424 0.631 . . . . 74.15 111.356 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 42.6 t -81.0 116.32 20.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 124.529 1.132 . . . . 73.25 109.175 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.517 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 27.6 t70 -68.39 -35.16 77.27 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.07 0.948 . . . . 71.23 111.125 -174.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.05 -24.45 64.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.548 0.739 . . . . 51.13 111.438 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -86.04 -34.24 20.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.054 0.542 . . . . 75.05 110.979 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -84.86 -34.01 22.71 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 111.605 0.224 . . . . 73.13 111.605 -177.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -91.09 -50.8 5.65 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.685 0.394 . . . . 73.2 111.183 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.7 m -104.3 -3.59 24.02 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.125 0.57 . . . . 71.12 112.396 -170.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 69.38 -66.4 0.26 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 125.55 1.54 . . . . 51.55 112.245 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.59 113.34 6.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 122.865 0.466 . . . . 63.44 110.147 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 51.0 t -70.22 140.12 52.4 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.398 0.679 . . . . 52.14 110.749 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.5 m -65.22 -50.2 66.75 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.915 0.886 . . . . 51.22 111.763 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -83.79 -18.78 36.55 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.176 0.591 . . . . 72.45 111.155 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.08 -119.32 6.71 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.418 0.449 . . . . 71.12 112.204 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -76.81 -17.87 58.75 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.297 0.639 . . . . 74.33 111.184 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -83.15 6.7 18.35 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.583 0.753 . . . . 62.41 111.572 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.458 ' SG ' ' SG ' ' A' ' 104' ' ' CYS . 44.8 t -67.72 133.39 49.2 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.731 0.813 . . . . 55.13 110.899 -179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -92.8 10.64 30.06 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.581 0.753 . . . . 72.41 111.632 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -132.36 146.02 51.67 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.402 0.681 . . . . 60.35 110.274 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.7 138.18 57.8 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.626 1.171 . . . . 60.53 113.338 -168.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -97.67 27.94 4.1 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.57 0.748 . . . . 74.25 110.468 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.54 -178.44 24.21 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 115.759 -0.655 . . . . 70.11 111.533 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.47 ' HA ' ' HB3' ' A' ' 128' ' ' LEU . 12.8 p -69.39 -22.36 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.449 0.7 . . . . 73.32 111.963 -175.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -62.94 -37.75 88.31 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.516 0.726 . . . . 61.44 111.498 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -94.9 -22.09 18.22 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.378 0.671 . . . . 53.54 111.191 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.47 ' HB3' ' HA ' ' A' ' 125' ' ' VAL . 48.9 tp -72.31 110.06 6.48 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.044 0.449 . . . . 72.1 111.381 -171.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.344 0 N-CA-C 106.6 -1.63 . . . . 62.51 106.6 165.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.511 -0.551 . . . . 65.34 109.511 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.07 135.82 51.39 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.879 0.472 . . . . 63.03 109.941 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 41.8 t -75.22 113.65 12.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.484 0.714 . . . . 54.54 109.973 -174.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.23 -37.12 85.98 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.84 0.856 . . . . 73.2 110.851 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -65.11 -44.21 89.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.378 -0.828 . . . . 73.55 110.725 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -76.16 -23.25 54.76 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 115.684 -0.689 . . . . 75.23 110.666 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 49.7 m -84.37 -39.66 18.81 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.105 0.562 . . . . 65.23 112.156 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 67.2 mtm -90.86 -53.4 4.41 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.967 0.507 . . . . 75.45 111.717 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 37.7 p -97.62 -18.82 18.68 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.556 0.342 . . . . 70.01 110.706 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 82.22 5.74 89.38 Favored Glycine 0 C--N 1.351 1.361 0 CA-C-N 116.1 -0.5 . . . . 33.14 113.357 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -137.62 133.59 34.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.861 0.865 . . . . 73.4 109.509 -174.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 36.6 t -119.12 127.41 53.33 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.266 1.026 . . . . 74.23 108.256 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -61.3 -32.8 72.65 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.653 0.781 . . . . 70.22 112.727 -171.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . 0.535 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 66.1 m-85 -83.29 -28.52 29.05 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.21 0.604 . . . . 64.44 110.823 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.44 -110.47 3.51 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.706 0.629 . . . . 60.35 112.361 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 76.8 p -71.31 -20.98 62.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.671 0.788 . . . . 73.13 111.328 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.535 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 84.6 mtt180 -82.48 -5.52 58.75 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.86 0.864 . . . . 65.3 111.851 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 53.5 t -66.97 130.29 42.65 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.553 0.741 . . . . 74.44 110.31 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -86.71 5.0 38.37 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.74 0.816 . . . . 73.4 111.336 -178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -111.86 149.74 31.39 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.011 0.924 . . . . 74.42 110.695 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.15 121.34 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.722 1.209 . . . . 74.34 111.531 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -94.31 94.92 8.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.008 0.523 . . . . 73.53 109.742 171.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 108.262 -1.014 . . . . 74.44 108.262 169.079 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 t80 . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 107.375 -1.343 . . . . 61.5 107.375 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.492 ' HD2' ' HB3' ' A' ' 127' ' ' GLU . 9.7 mtmp? 61.4 24.21 14.35 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.461 1.105 . . . . 73.22 111.7 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.6 p -77.4 -19.82 55.59 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.074 0.949 . . . . 74.1 110.473 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.17 167.1 22.83 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.838 1.255 . . . . 62.02 108.667 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.65 147.55 33.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.014 0.526 . . . . 74.15 110.587 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 29.0 t -63.08 128.35 35.45 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.476 1.11 . . . . 52.4 109.943 174.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.37 -47.97 82.11 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.657 0.783 . . . . 73.52 111.525 -174.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.14 -23.9 64.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.346 0.658 . . . . 75.44 111.722 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -76.49 -42.8 42.2 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.083 0.553 . . . . 74.13 110.71 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -77.65 -27.46 51.01 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 111.6 0.222 . . . . 71.34 111.6 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -93.19 -47.78 6.78 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.994 0.368 . . . . 74.55 111.994 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 t -113.69 -17.73 12.05 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.205 0.602 . . . . 65.13 112.264 -167.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 59.41 28.69 18.12 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.236 1.014 . . . . 70.35 110.93 -171.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -141.45 101.81 4.07 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.029 0.932 . . . . 65.13 109.457 -176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.8 t -113.23 126.95 55.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.406 1.083 . . . . 74.03 109.737 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.5 t -69.08 -34.01 74.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.025 0.93 . . . . 62.31 111.836 -175.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -74.4 -38.2 63.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.899 0.48 . . . . 64.12 110.944 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 63.68 -103.02 0.62 Allowed Glycine 0 C--N 1.347 1.155 0 O-C-N 123.715 0.635 . . . . 74.41 112.986 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.21 -29.75 65.53 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.559 0.744 . . . . 72.31 110.939 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -87.99 11.75 15.12 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.984 0.914 . . . . 74.4 111.954 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 36.7 t -77.59 127.56 32.69 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.716 0.807 . . . . 73.33 110.153 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -70.02 -26.1 63.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.075 0.55 . . . . 71.21 111.714 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -105.0 160.24 15.19 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.312 0.645 . . . . 74.0 111.457 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.91 139.63 48.86 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.413 -1.267 . . . . 71.22 113.381 -166.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -105.82 30.85 5.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.331 1.052 . . . . 74.05 109.979 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.0 163.14 26.28 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 116.097 -0.501 . . . . 65.4 112.659 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.14 -26.95 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 C-N-CA 123.912 0.885 . . . . 73.11 111.309 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -74.45 -26.84 60.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.941 0.896 . . . . 73.15 110.97 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.492 ' HB3' ' HD2' ' A' ' 100' ' ' LYS . 54.7 mt-10 -83.75 -19.69 34.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.71 0.804 . . . . 73.32 111.857 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.8 mt -66.47 115.7 6.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.312 0.645 . . . . 75.0 112.117 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 N--CA 1.47 0.56 0 N-CA-C 106.524 -1.658 . . . . 64.11 106.524 163.288 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 64.8 t . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 109.967 -0.382 . . . . 70.52 109.967 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 61.6 mt -72.23 159.95 33.23 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.769 0.828 . . . . 44.22 111.21 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 38.5 t -89.32 114.57 25.98 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.484 0.714 . . . . 65.52 109.922 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.35 -44.24 46.16 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.343 0.657 . . . . 74.15 110.469 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -55.47 -40.27 71.44 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.966 0.907 . . . . 71.01 112.075 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -69.78 -44.59 69.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.303 0.641 . . . . 70.12 110.432 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.4 m -69.19 -36.35 77.22 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.898 -0.592 . . . . 65.3 112.089 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 61.8 mtm -71.45 -48.85 46.81 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.158 0.429 . . . . 70.01 112.158 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 67.3 p -97.14 -43.51 7.35 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.747 0.419 . . . . 53.53 111.167 -170.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 134.56 -35.6 2.19 Favored Glycine 0 C--N 1.341 0.855 0 N-CA-C 111.233 -0.747 . . . . 73.15 111.233 -174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -136.09 142.5 44.32 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.08 0.952 . . . . 44.33 109.477 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 45.1 t -85.58 123.28 30.81 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.601 0.761 . . . . 73.0 109.795 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -64.11 -24.62 67.76 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.681 0.792 . . . . 75.14 112.212 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -73.97 -38.23 64.24 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.438 0.695 . . . . 75.2 110.282 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.11 -117.1 9.21 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-N 115.747 -0.661 . . . . 61.42 112.785 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 58.0 p -76.92 -11.14 59.77 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.153 0.581 . . . . 71.35 111.464 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -93.37 7.44 44.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.714 0.805 . . . . 75.31 111.289 174.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 52.3 t -83.5 125.63 31.95 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.335 0.654 . . . . 71.01 109.857 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -91.38 16.33 10.37 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.605 0.762 . . . . 65.51 111.185 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -124.53 148.61 47.66 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.708 0.803 . . . . 64.41 110.64 -175.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.74 120.63 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.506 1.122 . . . . 72.4 111.503 -175.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -83.59 95.07 8.22 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.725 -0.472 . . . . 75.24 109.725 173.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 109.069 -0.715 . . . . 63.13 109.069 171.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HB3' ' HG3' ' A' ' 100' ' ' LYS . 3.1 m-85 . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.336 0.589 . . . . 72.31 110.528 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.454 ' HG3' ' HB3' ' A' ' 99' ' ' PHE . 94.5 mttt 68.57 35.59 3.14 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 113.949 -1.478 . . . . 65.3 112.066 162.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.9 p -84.06 -5.34 59.22 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 115.206 -0.906 . . . . 64.11 111.387 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -144.29 155.99 44.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.542 1.137 . . . . 73.44 108.822 173.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.56 150.13 43.41 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.706 0.802 . . . . 75.24 112.7 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 40.5 t -80.8 122.47 27.21 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.292 -1.322 . . . . 73.05 109.374 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.433 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 31.3 t70 -65.19 -40.61 94.47 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.746 0.654 . . . . 53.35 110.226 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.3 -26.57 67.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.501 0.72 . . . . 54.44 111.992 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -77.33 -50.97 11.67 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.735 0.414 . . . . 61.33 110.31 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.433 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 14.0 ptmm? -76.41 -17.88 59.12 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.577 0.584 . . . . 75.33 112.577 -170.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -93.33 -39.99 10.65 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.946 0.498 . . . . 60.55 112.188 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.1 t -111.51 -9.04 14.22 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.095 0.776 . . . . 51.04 113.095 -168.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 65.86 -72.06 0.08 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 125.233 1.413 . . . . 73.14 110.284 -169.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.18 95.53 3.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.161 0.584 . . . . 75.33 109.778 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.454 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 41.4 t -76.81 125.01 28.56 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.9 -0.778 . . . . 63.11 108.9 175.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.4 p -70.09 -26.69 64.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.076 0.951 . . . . 64.45 112.39 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.633 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 26.1 m-85 -67.94 -44.56 76.53 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.085 0.954 . . . . 64.04 110.19 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.62 -111.6 4.26 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 115.774 -0.648 . . . . 73.01 112.912 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.05 -10.28 59.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.449 0.699 . . . . 64.22 111.414 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -79.45 -6.02 56.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.359 0.663 . . . . 65.43 111.476 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 48.5 m -75.17 132.88 41.47 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.442 0.639 . . . . 72.2 111.394 174.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.408 ' H ' ' HD3' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -101.82 5.75 41.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.72 1.208 . . . . 65.34 108.975 170.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -116.74 158.76 23.33 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.044 1.338 . . . . 74.33 109.027 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.17 134.68 34.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.119 0.968 . . . . 72.2 113.438 -164.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -95.24 32.3 1.76 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.509 0.723 . . . . 71.35 111.006 173.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 153.17 177.11 26.39 Favored Glycine 0 C--N 1.343 0.939 0 CA-C-N 116.46 -0.337 . . . . 64.21 112.431 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.428 ' HA ' HD12 ' A' ' 128' ' ' LEU . 12.6 p -69.14 -27.69 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.644 0.778 . . . . 60.34 111.256 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -70.7 -30.6 67.2 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.776 0.831 . . . . 74.05 110.702 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -81.93 -24.41 35.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.561 0.744 . . . . 61.34 111.025 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 125' ' ' VAL . 26.5 mt -65.92 119.94 12.2 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.413 0.685 . . . . 74.5 112.315 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 108.463 -0.94 . . . . 75.03 108.463 166.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 108.862 -0.792 . . . . 62.44 108.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.13 157.58 36.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.146 0.578 . . . . 62.21 111.331 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . 0.423 ' HG ' ' HG ' ' A' ' 162' ' ' CYS . 28.1 t -82.12 116.71 21.82 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.606 0.762 . . . . 60.31 110.108 -175.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.97 -47.72 82.13 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.208 1.003 . . . . 71.01 110.813 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -58.08 -48.6 79.66 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.254 -0.884 . . . . 75.41 110.835 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.405 ' HB3' ' HB3' ' A' ' 147' ' ' CYS . 37.7 t80 -74.5 -25.25 59.24 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 115.1 -0.955 . . . . 74.33 111.247 -172.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.9 p -87.2 -35.88 18.31 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.749 0.42 . . . . 52.54 111.641 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 66.4 mtm -82.63 -49.03 10.27 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.839 0.456 . . . . 63.1 111.765 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.1 p -97.23 -38.37 9.72 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.016 0.436 . . . . 74.21 110.268 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 115.47 -15.21 17.66 Favored Glycine 0 C--N 1.348 1.233 0 CA-C-N 115.673 -0.694 . . . . 65.32 112.516 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -133.73 146.56 50.89 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.878 0.871 . . . . 64.31 109.477 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 50.4 t -120.45 121.4 38.42 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.892 0.877 . . . . 64.33 109.182 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -70.51 -17.06 62.95 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.774 0.829 . . . . 74.21 111.927 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -73.45 -20.86 60.6 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.294 1.038 . . . . 61.32 111.085 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.26 -131.42 41.91 Favored Glycine 0 C--N 1.353 1.503 0 O-C-N 123.998 0.811 . . . . 55.34 113.575 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 71.1 p -71.34 -22.8 61.86 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.963 0.905 . . . . 73.15 111.99 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -92.35 9.73 32.84 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.363 0.665 . . . . 73.22 112.071 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . 0.423 ' HG ' ' HG ' ' A' ' 147' ' ' CYS . 42.4 t -65.33 128.6 36.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.795 0.838 . . . . 75.21 111.058 174.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -83.7 3.8 31.49 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.124 0.97 . . . . 55.55 112.196 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.85 149.14 40.52 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.073 0.949 . . . . 72.34 109.687 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.422 HG22 ' HG3' ' A' ' 167' ' ' LYS . 31.9 mt -71.54 128.08 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.807 0.843 . . . . 64.43 110.918 -176.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -90.84 95.0 9.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.366 0.667 . . . . 70.2 110.078 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.422 ' HG3' HG22 ' A' ' 165' ' ' ILE . 68.2 mttm . . . . . 0 N--CA 1.477 0.877 0 C-N-CA 123.692 0.797 . . . . 73.15 109.314 171.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.9 t80 . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 108.78 -0.822 . . . . 74.22 108.78 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.412 ' HG3' ' HG2' ' A' ' 129' ' ' ARG . 17.0 ptpt 56.67 21.1 5.54 Favored 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 127.021 2.128 . . . . 74.25 113.451 176.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.2 p -89.4 -3.26 58.5 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.688 0.795 . . . . 74.54 112.08 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.12 159.39 40.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.063 0.945 . . . . 70.41 109.256 173.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.67 135.79 34.93 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.917 0.487 . . . . 71.02 110.898 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.39 112.83 6.19 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.435 1.094 . . . . 73.01 110.304 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.6 -39.47 91.34 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.733 0.813 . . . . 72.11 110.805 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.62 79.3 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.908 0.883 . . . . 72.25 111.753 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -68.36 -40.93 81.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.012 0.525 . . . . 75.25 110.391 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -75.54 -28.97 59.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.157 -0.474 . . . . 70.4 111.99 -174.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -93.22 -43.6 8.75 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.99 0.516 . . . . 65.42 112.013 -177.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.1 t -113.48 -5.48 13.48 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.515 0.726 . . . . 54.23 112.591 -166.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 71.6 -62.04 0.47 Allowed 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.181 1.392 . . . . 72.5 110.189 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.68 142.64 48.25 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.484 0.714 . . . . 72.11 111.083 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.2 t -107.63 130.84 54.87 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.481 1.112 . . . . 72.32 108.406 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.0 m -66.58 -31.79 72.72 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.124 0.57 . . . . 53.24 111.467 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.55 -33.45 31.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.274 0.63 . . . . 70.52 110.892 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.33 -109.26 2.8 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.744 0.653 . . . . 52.13 112.661 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -79.02 -19.54 51.26 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.255 0.622 . . . . 75.41 111.663 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -90.77 12.32 19.59 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.368 0.667 . . . . 74.32 111.408 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 42.2 t -77.62 124.61 28.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.45 0.7 . . . . 72.15 109.375 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.428 ' HD2' ' H ' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -87.41 14.91 7.19 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.034 0.533 . . . . 71.15 111.601 -178.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -128.51 144.98 51.24 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.076 0.95 . . . . 72.24 109.476 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.12 141.36 54.69 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.454 1.102 . . . . 53.12 112.611 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -97.69 39.68 1.2 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.844 0.857 . . . . 62.55 110.451 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 150.86 165.47 12.81 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.238 -0.892 . . . . 72.02 111.779 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.5 p -68.28 -22.15 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.671 0.788 . . . . 61.12 110.903 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -71.31 -39.65 71.29 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.021 0.928 . . . . 73.03 110.661 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -84.13 -18.41 36.88 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.839 0.856 . . . . 74.24 110.329 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.8 tp -67.22 129.63 40.5 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.655 0.782 . . . . 34.45 111.297 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.412 ' HG2' ' HG3' ' A' ' 100' ' ' LYS . 34.3 mmt-85 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 107.049 -1.463 . . . . 61.24 107.049 169.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 109.418 -0.586 . . . . 51.51 109.418 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 97.4 mt -80.39 149.53 30.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.423 0.689 . . . . 75.23 110.676 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . 0.419 ' SG ' ' SG ' ' A' ' 162' ' ' CYS . 40.9 t -72.79 117.16 14.15 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.943 0.897 . . . . 41.24 110.352 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.05 -52.48 65.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.151 0.981 . . . . 71.25 110.847 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -58.03 -31.8 67.36 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.77 0.828 . . . . 73.23 111.688 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -79.5 -46.69 16.93 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.175 0.59 . . . . 51.02 110.596 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.1 p -73.92 -32.5 63.56 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.162 0.585 . . . . 52.35 112.304 -171.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.5 mtm -77.33 -40.97 42.27 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.995 0.518 . . . . 61.05 111.966 -176.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 65.2 p -105.71 -42.82 5.07 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.547 0.339 . . . . 73.42 111.835 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 137.55 -34.54 2.16 Favored Glycine 0 C--N 1.345 1.032 0 CA-C-N 116.241 -0.436 . . . . 61.31 112.21 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -135.83 149.39 49.04 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.737 0.815 . . . . 53.1 110.461 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.7 t -122.11 121.85 37.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.515 1.126 . . . . 41.3 109.09 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -67.92 -18.17 64.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.803 0.841 . . . . 75.23 112.771 -173.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -68.01 -37.35 81.31 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.801 0.841 . . . . 64.12 111.205 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.38 -116.2 8.51 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.518 0.511 . . . . 34.33 113.402 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.4 t -77.58 -14.3 59.69 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.413 0.685 . . . . 63.04 111.205 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -87.58 0.17 56.0 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.661 0.784 . . . . 74.31 111.25 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . 0.419 ' SG ' ' SG ' ' A' ' 147' ' ' CYS . 21.6 t -75.68 134.25 40.6 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 122.791 0.436 . . . . 72.43 110.928 -177.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -74.02 -26.07 60.22 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.999 0.92 . . . . 62.42 112.408 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -121.8 151.34 40.7 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.483 0.713 . . . . 64.5 111.115 -175.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 23.9 mt -61.42 136.34 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.691 1.196 . . . . 64.44 112.627 -168.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -95.6 94.83 7.98 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.547 0.739 . . . . 53.3 110.065 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 107.694 -1.224 . . . . 70.11 107.694 169.2 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 CA--C 1.541 0.632 0 N-CA-C 109.837 -0.431 . . . . 61.23 109.837 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt 50.18 62.26 2.76 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 126.456 1.903 . . . . 63.52 113.733 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.0 p -82.63 -10.29 59.01 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.285 -1.325 . . . . 71.22 112.039 176.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.33 166.36 26.53 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.943 0.897 . . . . 54.43 109.712 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.2 mt -75.79 148.44 38.46 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.284 0.564 . . . . 64.53 110.829 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.2 t -75.09 112.95 11.87 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.771 1.228 . . . . 33.01 110.033 -175.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.24 -34.76 78.36 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.796 0.838 . . . . 72.05 111.642 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.87 89.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.339 0.656 . . . . 64.3 110.39 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -73.89 -33.99 64.23 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.887 -1.052 . . . . 72.21 111.346 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -76.05 -31.03 58.62 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.145 -0.347 . . . . 62.05 111.591 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -85.39 -50.43 7.31 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.798 0.439 . . . . 74.52 110.904 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.2 m -97.22 -4.78 38.36 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.684 0.624 . . . . 75.22 112.684 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 68.98 9.75 7.57 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.685 1.194 . . . . 75.31 112.254 -176.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.12 144.5 9.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.307 1.043 . . . . 71.04 109.549 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 19.2 t -121.09 129.46 53.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.103 0.961 . . . . 60.23 109.677 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.6 p -74.46 -21.86 59.39 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.034 0.934 . . . . 75.3 112.126 -176.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -70.94 -26.39 63.16 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.629 0.771 . . . . 62.41 111.099 -176.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.34 -128.39 33.21 Favored Glycine 0 C--N 1.355 1.624 0 O-C-N 123.5 0.5 . . . . 74.35 113.209 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -77.4 -15.14 59.51 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.023 0.529 . . . . 62.1 111.559 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -82.57 -0.59 47.58 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.239 0.616 . . . . 45.02 111.023 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.98 127.27 32.05 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.3 0.64 . . . . 62.02 110.106 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -80.0 3.82 18.95 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.374 0.67 . . . . 74.12 112.032 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -130.88 152.65 49.98 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.867 0.867 . . . . 72.35 110.31 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 127' ' ' GLU . . . -77.78 139.82 39.38 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.543 1.137 . . . . 55.32 112.825 -167.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -98.88 28.51 4.29 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.779 0.832 . . . . 74.5 110.261 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.24 149.94 7.16 Favored Glycine 0 C--N 1.339 0.704 0 N-CA-C 110.974 -0.85 . . . . 74.14 110.974 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.86 -24.75 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.56 0.744 . . . . 74.14 111.242 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -68.37 -32.16 72.05 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.093 0.957 . . . . 75.41 111.294 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.457 ' HB2' ' HB1' ' A' ' 122' ' ' ALA . 43.7 mt-10 -83.9 -9.01 59.04 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.08 0.552 . . . . 71.11 112.397 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.23 111.64 2.06 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.132 0.491 . . . . 54.41 111.845 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 106.638 -1.615 . . . . 73.4 106.638 173.285 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 108.58 -0.896 . . . . 72.54 108.58 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.99 139.83 58.38 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.905 0.482 . . . . 71.13 110.387 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.4 t -72.84 111.47 8.0 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.179 -0.674 . . . . 71.13 109.179 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -72.8 -40.33 65.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.549 0.531 . . . . 63.05 111.342 -172.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.91 -42.2 99.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.04 0.536 . . . . 72.42 110.812 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.95 -26.22 64.02 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.405 -0.816 . . . . 71.2 111.426 -176.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 60.0 p -87.09 -35.49 18.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.749 0.42 . . . . 45.04 111.572 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 74.3 mtm -76.91 -43.79 34.2 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.877 0.471 . . . . 73.31 111.622 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 44.6 p -104.81 -29.3 10.62 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.98 0.512 . . . . 35.24 111.261 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 94.97 4.21 61.62 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.873 -0.603 . . . . 53.45 112.066 -171.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -136.7 139.74 42.17 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.97 0.908 . . . . 74.41 110.103 -173.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 51.7 t -122.23 125.16 45.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.104 0.962 . . . . 74.21 108.975 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -24.94 65.77 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.397 0.679 . . . . 73.41 112.385 -173.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -80.53 -31.13 37.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.166 0.586 . . . . 74.4 110.751 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.14 -112.88 5.37 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.654 0.596 . . . . 53.23 112.286 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.1 p -76.4 -16.23 59.76 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.357 0.663 . . . . 72.04 111.352 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.57 12.51 18.58 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.193 0.997 . . . . 64.41 111.252 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.9 t -85.12 126.91 34.0 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.241 0.616 . . . . 73.54 111.251 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -78.08 -29.1 48.92 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.641 0.776 . . . . 63.54 110.536 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -79.92 143.56 34.13 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.048 0.539 . . . . 75.34 111.043 -176.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 22.4 mt -70.19 109.11 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.637 1.175 . . . . 74.14 111.43 -169.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -73.6 107.67 6.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.043 0.537 . . . . 74.12 110.796 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt . . . . . 0 C--O 1.239 0.512 0 C-N-CA 123.948 0.899 . . . . 61.14 108.828 174.76 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.567 0.222 . . . . 72.24 111.11 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HB3' ' A' ' 127' ' ' GLU . 15.8 ptpt 41.05 55.63 3.14 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.962 2.105 . . . . 72.32 115.573 167.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.4 p -83.37 -14.18 53.34 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.081 -0.963 . . . . 72.2 109.715 163.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.64 158.25 36.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.539 1.136 . . . . 65.42 110.223 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.57 158.5 32.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.891 0.876 . . . . 73.35 112.08 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 40.1 t -89.4 117.09 28.07 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.878 1.271 . . . . 71.2 110.257 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.95 -34.78 75.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.978 0.511 . . . . 52.23 110.818 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.31 -32.79 72.65 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.451 0.7 . . . . 71.15 111.326 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -74.38 -43.57 55.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.828 0.851 . . . . 63.01 110.456 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -73.67 -24.75 60.01 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.966 0.506 . . . . 63.41 111.96 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -93.39 -51.1 5.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.232 0.613 . . . . 64.42 112.256 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.6 t -113.22 5.17 16.85 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.93 0.715 . . . . 74.52 112.93 -166.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 65.0 -79.5 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.373 1.069 . . . . 74.34 111.322 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.5 95.74 1.43 Allowed 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.516 0.726 . . . . 51.23 110.594 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 23.7 t -78.83 128.03 32.82 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.973 0.909 . . . . 72.4 109.135 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.5 m -57.02 -37.96 72.46 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.862 1.265 . . . . 73.24 114.221 -164.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -80.42 -29.53 37.65 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.052 0.541 . . . . 54.34 112.021 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.87 -103.17 0.79 Allowed Glycine 0 C--N 1.349 1.299 0 O-C-N 123.475 0.484 . . . . 73.45 112.967 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -75.27 -31.46 60.75 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.249 0.62 . . . . 74.12 110.677 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -84.77 7.31 21.1 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.555 0.742 . . . . 71.42 111.707 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.9 t -69.01 130.45 42.81 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.022 0.529 . . . . 64.21 110.112 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -64.64 -32.41 74.07 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 63.23 112.082 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -101.74 159.53 15.25 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.609 0.764 . . . . 73.04 110.948 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' ' 100' ' ' LYS . . . -79.86 137.84 37.03 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.174 0.99 . . . . 55.33 112.539 -170.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -102.03 28.21 5.96 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.436 0.694 . . . . 75.32 109.977 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 172.99 162.52 25.22 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 116.323 -0.399 . . . . 75.41 112.76 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.2 p -63.67 -27.22 42.47 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 C-N-CA 124.329 1.052 . . . . 63.21 111.269 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -70.37 -33.63 71.65 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.309 1.044 . . . . 72.11 111.375 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.576 ' HB3' ' HD3' ' A' ' 100' ' ' LYS . 35.7 mt-10 -86.12 -1.42 57.38 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.099 0.56 . . . . 63.41 112.018 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.93 115.03 18.35 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.755 0.422 . . . . 71.33 111.31 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 108.626 -0.879 . . . . 73.01 108.626 171.009 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--O 1.24 0.588 0 N-CA-C 109.054 -0.721 . . . . 74.34 109.054 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 167' ' ' LYS . 76.0 mt -74.16 152.51 39.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.466 0.706 . . . . 62.53 109.766 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 20.0 t -75.7 113.81 13.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.307 0.643 . . . . 74.34 110.095 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.1 -50.89 68.73 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.933 0.893 . . . . 74.54 110.76 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -55.15 -45.19 75.66 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.949 0.899 . . . . 72.35 111.472 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -67.06 -27.74 67.63 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.1 -0.954 . . . . 65.01 111.208 -176.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 38.7 m -88.63 -28.33 20.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.448 0.699 . . . . 70.42 112.468 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.0 mtm -86.71 -52.18 5.67 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.124 0.57 . . . . 73.14 111.421 -174.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.7 p -95.26 -31.99 13.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.276 0.63 . . . . 75.21 110.232 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 116.12 -20.84 12.52 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.547 -0.751 . . . . 33.32 112.114 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.69 150.88 52.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.573 0.749 . . . . 71.22 110.188 -177.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 39.0 t -118.54 119.61 35.03 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.185 -1.043 . . . . 53.3 108.185 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -75.59 -21.08 58.13 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.047 0.539 . . . . 74.02 111.927 -172.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 9.2 m-85 -66.65 -39.34 88.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.598 0.759 . . . . 62.32 110.516 176.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.23 -112.54 5.08 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 123.625 0.578 . . . . 53.34 112.569 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.5 p -68.97 -29.43 67.64 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.765 0.826 . . . . 72.33 110.982 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 -7.91 55.63 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.05 0.94 . . . . 74.33 111.463 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 46.6 t -77.27 124.41 27.81 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 108.897 -0.779 . . . . 70.01 108.897 172.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -85.25 -13.77 48.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.809 0.844 . . . . 65.24 111.481 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -88.81 149.96 23.15 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.899 0.88 . . . . 71.43 111.024 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 35.5 mt -62.31 111.65 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.163 0.985 . . . . 75.41 110.606 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -74.31 91.26 2.17 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.569 0.699 . . . . 74.42 109.195 170.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.466 ' HB2' HD22 ' A' ' 146' ' ' LEU . 27.6 tptp . . . . . 0 C--O 1.237 0.431 0 N-CA-C 107.034 -1.469 . . . . 64.25 107.034 177.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.264 -0.273 . . . . 72.24 110.264 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.611 ' HG3' ' HD3' ' A' ' 129' ' ' ARG . 0.4 OUTLIER 46.1 32.43 1.41 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 126.622 1.969 . . . . 65.51 114.913 170.41 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.5 p -82.71 -18.42 40.93 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.405 -0.816 . . . . 62.11 110.009 170.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -123.93 156.75 35.76 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.896 1.279 . . . . 73.2 108.828 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -74.66 157.4 35.4 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.365 0.666 . . . . 62.53 111.854 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.2 t -79.32 121.1 24.69 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 124.196 0.998 . . . . 64.24 109.709 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.441 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 40.4 m-20 -66.14 -30.38 70.85 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.137 0.575 . . . . 62.24 111.424 -178.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.02 68.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.141 0.577 . . . . 72.4 111.127 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 73.4 t80 -81.42 -30.91 33.4 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.104 0.562 . . . . 71.34 111.3 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 17.5 ptpt -84.44 -38.06 20.64 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 122.319 -0.238 . . . . 74.23 111.084 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -90.52 -51.08 5.58 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.735 0.414 . . . . 74.41 111.162 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.5 t -99.01 -21.8 16.05 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.433 0.693 . . . . 74.31 111.651 -173.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 95.4 mt-30 74.84 -53.64 0.67 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.675 1.59 . . . . 75.03 111.328 -172.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.73 123.68 23.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.362 0.665 . . . . 74.23 110.403 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -109.2 126.35 53.19 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.221 1.008 . . . . 74.12 109.538 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.0 m -69.1 -31.04 69.48 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.637 0.775 . . . . 75.14 112.036 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -68.47 -32.0 71.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.051 0.54 . . . . 75.12 111.061 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.79 -120.23 12.27 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 123.633 0.583 . . . . 71.31 112.695 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -77.66 -18.51 56.62 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.61 0.764 . . . . 64.51 111.403 178.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -82.49 1.24 38.65 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.482 0.713 . . . . 74.22 111.785 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 37.9 t -67.36 117.25 9.09 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 122.997 0.519 . . . . 61.01 110.457 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -66.8 -34.61 78.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.549 0.74 . . . . 70.41 110.279 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -80.37 161.44 25.0 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.203 1.001 . . . . 74.55 111.873 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.24 128.12 32.91 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.108 0.963 . . . . 51.11 112.941 -170.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -97.42 68.95 2.2 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.626 0.77 . . . . 64.4 109.311 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.71 162.49 11.64 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-N 115.722 -0.672 . . . . 63.23 112.096 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.2 p -70.08 -24.57 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.304 0.642 . . . . 75.23 111.309 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -69.92 -31.22 68.87 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.305 0.642 . . . . 73.23 110.778 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -77.7 -15.4 59.18 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.83 0.852 . . . . 72.33 112.171 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 mt -67.18 116.6 8.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.726 0.41 . . . . 70.4 111.133 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.611 ' HD3' ' HG3' ' A' ' 100' ' ' LYS . 10.6 mpt_? . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 108.05 -1.093 . . . . 75.41 108.05 167.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 109.392 -0.595 . . . . 75.21 109.392 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.56 148.88 48.83 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.334 0.653 . . . . 71.44 110.851 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.8 t -82.53 113.17 20.07 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.557 -0.905 . . . . 73.35 108.557 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -67.99 -49.93 58.67 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.458 0.703 . . . . 72.43 111.151 -171.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.95 -30.24 69.49 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.19 -0.459 . . . . 73.52 111.746 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -74.76 -23.23 58.5 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 110.016 -0.364 . . . . 72.14 110.016 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.1 t -86.03 -30.49 22.63 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.291 0.636 . . . . 51.21 111.087 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.2 mtm -90.48 -53.22 4.53 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.866 0.466 . . . . 73.23 111.762 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 36.2 p -96.65 -20.64 18.14 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.106 0.562 . . . . 75.43 110.91 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 90.27 -0.3 78.03 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.219 -0.446 . . . . 60.2 112.925 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -131.92 144.33 50.76 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.457 0.703 . . . . 72.15 110.946 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 42.3 t -122.84 122.78 39.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.59 1.156 . . . . 75.34 108.911 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -15.79 61.75 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.887 0.875 . . . . 74.42 112.6 -174.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . 0.407 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 76.9 m-85 -86.73 -27.06 23.9 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.331 0.652 . . . . 74.44 111.025 176.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.93 -125.74 30.76 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 111.827 -0.509 . . . . 74.34 111.827 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.4 p -71.98 -15.65 62.06 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 117.394 0.597 . . . . 71.41 112.208 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 57.7 mtm-85 -73.73 -15.78 61.2 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.44 0.696 . . . . 74.01 111.623 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 49.1 t -67.61 127.8 34.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.886 0.874 . . . . 64.51 110.385 177.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -85.07 9.12 15.65 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.454 0.702 . . . . 73.2 111.911 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -113.17 149.5 33.57 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.907 0.883 . . . . 74.34 110.533 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 44.3 mt -64.08 120.08 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.458 1.103 . . . . 72.41 110.842 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -92.46 94.14 8.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.89 0.476 . . . . 71.11 110.051 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.9 mttp . . . . . 0 N--CA 1.47 0.542 0 N-CA-C 108.159 -1.052 . . . . 64.31 108.159 168.798 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.621 0.248 . . . . 75.23 111.002 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 65.91 15.99 10.29 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.054 1.342 . . . . 75.52 112.899 167.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.8 p -79.43 -15.33 58.0 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.625 0.77 . . . . 71.0 110.972 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.46 142.28 49.18 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.4 1.08 . . . . 70.41 108.808 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.0 149.69 44.28 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.398 0.618 . . . . 73.12 111.681 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 113' ' ' CYS . 53.0 t -81.93 112.83 19.39 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.848 -1.069 . . . . 65.42 109.333 177.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.69 -42.77 97.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.72 0.808 . . . . 75.4 110.489 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.39 -35.29 75.41 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 124.113 0.883 . . . . 62.35 111.68 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -70.73 -47.45 59.66 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.899 0.48 . . . . 73.42 110.489 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -62.71 -40.5 97.36 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.972 0.509 . . . . 75.32 111.852 -175.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -79.75 -28.72 40.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.969 0.508 . . . . 75.31 111.927 -172.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 m -113.25 -6.82 13.58 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.031 0.752 . . . . 63.21 113.031 -174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 67.34 13.64 9.43 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.879 1.272 . . . . 73.24 111.632 -172.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -170.59 134.11 1.06 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.316 1.446 . . . . 74.12 108.411 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 104' ' ' CYS . 53.4 t -82.75 143.43 30.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.406 0.682 . . . . 53.25 110.916 -177.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.5 p -66.29 -41.58 89.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.953 0.901 . . . . 74.54 111.567 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.472 ' HB2' ' HB2' ' A' ' 119' ' ' CYS . 81.4 m-85 -81.09 -33.12 33.57 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.291 0.636 . . . . 74.42 111.27 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 63.6 -103.32 0.67 Allowed Glycine 0 C--N 1.349 1.287 0 O-C-N 123.977 0.798 . . . . 75.22 113.179 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -73.74 -24.55 59.9 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.444 0.698 . . . . 71.13 111.315 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.422 ' HB2' ' HB3' ' A' ' 115' ' ' TYR . 18.5 mm-40 -77.52 -14.23 59.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.162 0.585 . . . . 75.34 111.473 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 115' ' ' TYR . 53.7 t -82.24 126.43 32.09 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.328 0.651 . . . . 75.23 109.97 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -91.03 -6.45 53.89 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.142 0.577 . . . . 54.15 111.55 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -82.71 159.65 22.53 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.647 0.779 . . . . 74.25 111.311 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.64 127.01 31.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.144 0.978 . . . . 51.15 112.732 -175.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -101.19 66.89 1.15 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.28 1.032 . . . . 75.14 108.79 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.82 165.63 14.47 Favored Glycine 0 N--CA 1.471 1.02 0 CA-C-N 115.204 -0.907 . . . . 60.22 111.7 -174.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.24 -21.2 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 122.64 0.376 . . . . 70.35 111.413 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -69.7 -33.01 71.94 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.032 0.444 . . . . 72.01 110.113 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -80.61 -24.73 38.89 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.583 -0.735 . . . . 64.41 111.062 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.08 111.55 3.94 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.93 -0.767 . . . . 73.13 108.93 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 . . . . . 0 N--CA 1.468 0.427 0 C-N-CA 124.641 1.176 . . . . 60.15 109.331 -176.379 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.758 -0.46 . . . . 74.42 109.758 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.453 HD23 ' HB ' ' A' ' 165' ' ' ILE . 92.8 mt -69.96 152.66 44.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.46 0.704 . . . . 72.45 110.929 176.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 24.7 t -84.81 114.0 21.76 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.202 0.601 . . . . 73.23 109.392 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -71.22 -42.23 69.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.301 0.641 . . . . 53.32 109.936 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -62.84 -32.59 73.83 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.268 0.627 . . . . 74.2 111.42 -177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -67.59 -50.29 59.0 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.319 0.648 . . . . 75.43 110.268 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.7 p -74.27 -34.66 63.63 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.268 0.627 . . . . 33.31 112.38 -172.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.7 mtm -75.79 -39.68 56.51 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.939 0.496 . . . . 73.21 112.33 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 43.6 p -96.5 -42.66 7.98 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.802 0.334 . . . . 71.43 110.659 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 141.14 -35.74 1.81 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 111.484 -0.646 . . . . 61.51 111.484 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -147.29 163.95 34.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.99 0.916 . . . . 63.43 110.61 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 36.4 t -120.5 120.46 35.93 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.375 1.07 . . . . 71.22 108.411 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -23.67 61.41 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.593 0.757 . . . . 65.14 112.614 -170.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . 0.482 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 23.7 m-85 -66.45 -42.09 88.15 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.034 0.534 . . . . 72.54 111.811 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.91 -102.85 0.62 Allowed Glycine 0 C--N 1.347 1.144 0 O-C-N 123.651 0.595 . . . . 62.33 112.859 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 8.8 t -76.48 -20.66 56.75 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.671 0.788 . . . . 71.53 111.453 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 70.2 mtp180 -73.7 -26.02 60.51 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.326 0.651 . . . . 71.2 110.337 175.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 49.3 t -74.29 122.96 23.7 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.747 0.819 . . . . 71.11 109.889 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -79.14 -11.64 59.98 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.52 0.728 . . . . 71.12 111.826 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -93.9 149.65 21.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.76 0.824 . . . . 64.23 111.162 -174.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.453 ' HB ' HD23 ' A' ' 146' ' ' LEU . 61.6 mt -65.28 125.24 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.547 1.139 . . . . 62.44 110.909 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -97.07 94.83 7.38 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.469 0.708 . . . . 75.11 109.426 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.8 mttp . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 107.839 -1.171 . . . . 73.5 107.839 168.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--O 1.242 0.662 0 N-CA-C 108.11 -1.071 . . . . 74.11 108.11 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 121' ' ' PHE . 16.9 ptpt 46.13 47.28 13.08 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.301 1.84 . . . . 73.51 113.052 -177.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -84.49 -18.66 35.11 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 113.89 -1.504 . . . . 73.34 110.941 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.21 165.93 18.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.247 1.019 . . . . 60.43 109.265 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.8 mt -77.55 148.18 35.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.835 0.454 . . . . 63.43 110.739 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.5 t -75.51 122.62 24.14 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.462 1.105 . . . . 73.12 110.389 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.29 -46.48 79.76 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.284 1.034 . . . . 73.5 111.278 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.08 77.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.685 0.794 . . . . 33.54 111.698 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -70.71 -31.08 67.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.559 0.743 . . . . 74.24 111.295 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -84.62 -34.31 23.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.637 0.375 . . . . 54.25 111.719 -177.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -86.31 -45.23 11.43 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.161 0.43 . . . . 64.32 112.161 -174.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.4 p -113.03 -2.04 14.31 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.028 0.531 . . . . 51.42 112.185 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 69.16 -71.12 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.093 1.357 . . . . 72.15 111.651 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.94 94.96 2.4 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.445 -0.576 . . . . 74.31 109.445 172.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 49.0 t -71.66 125.54 27.38 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.113 0.965 . . . . 74.23 110.109 -178.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.8 t -71.8 -26.31 62.36 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.726 0.811 . . . . 61.25 111.655 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.563 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 42.1 m-85 -74.38 -24.73 59.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.669 0.788 . . . . 72.31 111.161 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.3 -142.46 44.48 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.415 0.447 . . . . 64.34 113.199 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -65.29 -17.29 64.39 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.33 0.652 . . . . 63.54 111.952 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -77.54 3.82 12.69 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.077 0.951 . . . . 75.24 111.92 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.589 ' SG ' ' SG ' ' A' ' 113' ' ' CYS . 80.8 m -63.6 138.83 58.66 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.851 0.86 . . . . 52.15 111.58 172.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -78.72 -6.17 55.12 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.52 0.728 . . . . 73.0 111.089 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.56 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 51.6 m-85 -124.84 159.69 30.48 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.165 0.986 . . . . 73.32 110.548 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.57 148.15 37.21 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.891 1.277 . . . . 52.24 112.819 -172.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -105.96 29.06 7.01 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.304 1.042 . . . . 73.53 109.908 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.71 157.29 18.25 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 115.766 -0.652 . . . . 54.43 111.931 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.5 -23.73 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 123.834 0.854 . . . . 61.3 111.351 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -72.66 -34.4 67.22 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.663 0.785 . . . . 75.11 110.916 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -85.09 1.08 49.39 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.187 0.595 . . . . 73.03 111.85 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.5 114.47 8.64 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.419 0.287 . . . . 61.35 110.656 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 107.578 -1.268 . . . . 75.23 107.578 164.729 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.4 t . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 109.46 -0.571 . . . . 51.31 109.46 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 59.1 mt -77.39 148.12 35.68 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.154 0.582 . . . . 75.34 109.49 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 15.4 t -69.67 113.32 6.82 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.145 -0.687 . . . . 65.2 109.145 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.96 -52.61 63.34 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.896 0.878 . . . . 75.01 111.792 -168.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -69.73 -29.72 67.16 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.98 -0.554 . . . . 64.21 111.045 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -73.92 -22.56 59.64 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 109.851 -0.425 . . . . 75.21 109.851 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 51.0 m -84.06 -43.82 14.71 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.481 0.712 . . . . 45.43 111.363 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.0 mtm -83.08 -54.33 5.13 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.084 0.554 . . . . 62.45 111.687 -171.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 22.0 p -96.13 -17.33 20.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.067 0.547 . . . . 73.31 110.074 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 85.2 5.18 85.82 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 116.007 -0.542 . . . . 60.25 113.076 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -134.76 133.97 40.46 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.842 0.857 . . . . 73.33 110.433 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 35.1 t -121.74 123.2 41.28 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.116 0.966 . . . . 71.5 108.739 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -25.15 65.55 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.635 0.774 . . . . 61.31 112.525 -174.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -75.11 -31.81 61.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.479 0.712 . . . . 74.22 111.523 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.01 -115.83 8.57 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.644 0.59 . . . . 42.34 112.979 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.2 p -71.13 -24.31 62.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.206 0.602 . . . . 71.33 111.788 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -84.24 2.62 39.12 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.176 0.59 . . . . 74.23 112.153 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.32 129.28 37.69 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.128 0.571 . . . . 73.32 110.729 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -86.37 -0.16 55.31 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.068 0.547 . . . . 73.2 111.966 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -111.51 150.42 29.97 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.664 0.785 . . . . 72.12 110.39 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.62 115.3 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.865 0.866 . . . . 62.35 111.767 -173.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -81.59 102.61 10.75 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.045 0.538 . . . . 74.53 111.071 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp . . . . . 0 C--O 1.242 0.667 0 C-N-CA 124.022 0.929 . . . . 61.01 108.934 169.885 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.09 -0.707 . . . . 73.11 109.09 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HD3' ' HB3' ' A' ' 127' ' ' GLU . 17.9 ptpt 45.72 37.76 3.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.481 1.912 . . . . 73.11 113.978 178.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.1 p -88.49 -11.98 44.27 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.255 -0.884 . . . . 72.44 110.85 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.51 158.9 39.68 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.635 1.174 . . . . 75.54 109.046 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.3 mt -76.2 156.24 33.8 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.231 0.613 . . . . 64.44 112.459 -173.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 47.4 t -88.84 123.67 33.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.513 1.125 . . . . 70.3 110.614 -175.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.513 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 63.5 m-20 -70.44 -29.53 66.14 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.443 0.697 . . . . 72.31 111.288 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.18 69.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.331 0.653 . . . . 71.21 111.041 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -78.25 -42.46 31.06 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.377 0.671 . . . . 73.42 110.938 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.513 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 17.9 ptpt -76.89 -36.4 56.72 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.18 0.192 . . . . 74.12 111.505 -174.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -91.38 -52.27 4.88 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.74 0.416 . . . . 73.31 111.945 -174.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.2 t -95.95 -26.37 15.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.079 0.552 . . . . 60.15 111.305 -173.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 65.41 20.23 11.73 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.565 1.146 . . . . 62.34 111.116 -172.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -149.28 104.79 3.42 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.991 0.917 . . . . 61.2 109.125 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.4 t -103.95 126.84 51.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.088 0.955 . . . . 63.2 109.233 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.9 p -73.93 -37.65 64.52 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.701 0.8 . . . . 61.13 112.075 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -72.49 -29.29 63.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.991 0.516 . . . . 74.4 111.878 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.9 -108.28 2.31 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.705 0.628 . . . . 72.53 113.295 176.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -75.5 -27.64 58.86 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.458 0.703 . . . . 72.11 110.91 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.65 3.35 37.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.181 0.593 . . . . 71.42 111.406 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.8 t -71.66 118.54 14.62 Favored 'General case' 0 C--N 1.348 0.501 0 N-CA-C 109.313 -0.625 . . . . 72.34 109.313 173.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.481 ' HD2' ' H ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -77.63 14.11 1.11 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.428 0.691 . . . . 72.53 112.339 179.772 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -131.29 141.38 49.95 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.288 1.035 . . . . 73.42 109.516 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.38 138.73 45.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.656 1.182 . . . . 61.34 112.696 -170.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -97.26 28.82 3.45 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.776 0.83 . . . . 53.25 110.197 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 158.66 171.07 24.03 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.754 -0.657 . . . . 71.34 111.651 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.6 p -70.42 -24.78 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.275 0.63 . . . . 52.11 111.075 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -65.34 -34.21 77.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.901 0.88 . . . . 74.42 110.896 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.46 ' HB3' ' HD3' ' A' ' 100' ' ' LYS . 46.2 mt-10 -86.08 -12.6 49.68 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.615 0.766 . . . . 74.42 111.962 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.2 mt -67.93 112.68 5.09 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.395 0.543 . . . . 53.03 110.338 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 N--CA 1.472 0.675 0 N-CA-C 107.387 -1.338 . . . . 73.32 107.387 167.204 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.292 -0.633 . . . . 62.12 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.35 153.22 40.59 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.254 0.622 . . . . 72.44 111.224 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 11.7 t -86.86 114.26 23.36 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.482 0.713 . . . . 74.21 109.556 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -64.76 -51.7 60.89 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.661 0.785 . . . . 61.0 110.64 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.37 -45.25 95.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.6 -0.727 . . . . 74.41 111.436 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 47.6 t80 -71.55 -23.73 61.81 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.089 -0.505 . . . . 74.45 111.813 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.0 p -85.97 -36.23 19.94 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 122.3 -0.25 . . . . 64.3 111.19 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 69.8 mtm -86.12 -52.34 5.74 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.918 0.487 . . . . 75.11 111.92 -174.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 62.9 p -95.85 -26.68 15.53 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.977 0.511 . . . . 42.21 110.625 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 88.51 2.25 79.7 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.769 -0.65 . . . . 74.24 112.694 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -125.31 128.36 48.11 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.161 0.984 . . . . 75.41 109.203 -175.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 49.5 t -121.42 122.58 40.1 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.617 0.767 . . . . 72.15 109.235 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.66 -52.24 62.97 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.215 1.406 . . . . 65.22 111.919 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -70.65 -24.74 62.76 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 114.912 -1.04 . . . . 72.44 112.427 -173.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.82 -117.87 9.14 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 123.457 0.473 . . . . 44.13 113.272 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 36.2 p -75.67 -29.72 59.16 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.888 0.475 . . . . 73.11 110.873 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -75.45 -0.53 20.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.294 0.638 . . . . 74.41 112.121 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 51.5 t -63.24 122.25 15.68 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.14 0.576 . . . . 53.5 109.826 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -81.07 12.0 3.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.043 0.937 . . . . 53.22 111.779 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -121.73 149.24 43.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.602 1.161 . . . . 73.14 110.324 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.439 HG22 ' HG2' ' A' ' 167' ' ' LYS . 25.7 mt -68.34 121.35 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.909 0.884 . . . . 74.2 110.487 -178.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -85.9 98.99 11.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.297 0.639 . . . . 62.34 110.827 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.439 ' HG2' HG22 ' A' ' 165' ' ' ILE . 32.4 mmmt . . . . . 0 N--CA 1.472 0.661 0 C-N-CA 123.846 0.858 . . . . 72.04 109.351 173.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 C--O 1.24 0.569 0 N-CA-C 109.247 -0.649 . . . . 74.23 109.247 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.532 ' HB2' ' HD3' ' A' ' 129' ' ' ARG . 31.6 mmtp 62.26 21.95 12.84 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.351 1.46 . . . . 64.0 111.828 174.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.2 p -78.63 -8.14 58.35 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.923 0.889 . . . . 71.0 112.633 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.3 165.21 29.95 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.656 0.782 . . . . 55.13 110.138 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.79 149.84 47.52 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.177 0.591 . . . . 73.33 111.453 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.0 t -88.93 120.32 30.23 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.668 0.787 . . . . 72.31 110.243 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.413 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 29.6 t70 -66.28 -37.16 84.81 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.622 0.769 . . . . 74.22 110.481 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.97 -22.1 64.13 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.555 0.742 . . . . 75.13 112.032 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 87.5 t80 -86.99 -36.12 18.43 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 122.995 0.518 . . . . 65.22 111.206 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 14.5 ptmm? -86.31 -37.88 18.07 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 111.979 0.363 . . . . 71.43 111.979 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -92.73 -50.53 5.53 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.635 0.774 . . . . 71.32 111.896 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.2 t -92.7 -12.93 30.21 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.042 0.537 . . . . 64.2 111.66 -175.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 23.6 tp60 69.59 -67.8 0.21 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.624 1.57 . . . . 70.23 111.505 -175.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.21 106.48 7.85 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.147 0.579 . . . . 71.31 110.034 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.77 125.75 30.08 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.846 0.858 . . . . 73.43 109.594 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.5 p -67.92 -32.59 73.16 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.823 0.849 . . . . 71.53 112.128 -172.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -72.96 -41.39 64.47 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.703 0.401 . . . . 75.32 111.091 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.16 -107.46 1.97 Allowed Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.992 -0.549 . . . . 61.53 112.551 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -73.82 -19.78 60.65 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.351 0.661 . . . . 75.22 111.56 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -89.02 0.73 56.42 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.585 0.754 . . . . 70.25 111.697 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 45.9 t -71.48 130.55 41.56 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.153 0.581 . . . . 70.35 110.367 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -81.18 -7.06 59.49 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.062 0.545 . . . . 75.4 111.284 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -110.25 154.43 23.43 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.964 0.905 . . . . 72.32 110.561 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.39 138.72 43.55 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.778 1.231 . . . . 73.12 112.487 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -108.77 29.19 7.68 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.713 0.805 . . . . 74.1 109.916 174.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.84 154.7 13.2 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 111.809 -0.516 . . . . 75.34 111.809 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.509 ' HA ' HD23 ' A' ' 128' ' ' LEU . 12.1 p -63.05 -32.81 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.045 0.938 . . . . 70.14 111.555 -177.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -68.05 -24.44 65.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.18 0.992 . . . . 55.44 111.588 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -86.4 -7.44 58.44 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.242 -0.885 . . . . 73.02 113.168 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 125' ' ' VAL . 4.3 mm? -67.47 110.34 3.59 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 119.73 1.15 . . . . 71.25 111.206 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.532 ' HD3' ' HB2' ' A' ' 100' ' ' LYS . 10.7 mpt_? . . . . . 0 N--CA 1.47 0.574 0 C-N-CA 124.312 1.045 . . . . 61.12 109.205 169.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.0 t . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 108.542 -0.911 . . . . 72.45 108.542 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 56.8 mt -77.16 157.56 30.87 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.984 0.513 . . . . 72.1 111.804 -175.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.2 118.66 19.16 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.386 1.074 . . . . 64.41 110.146 -175.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.57 -47.91 83.71 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.471 1.108 . . . . 75.54 111.097 -175.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.68 -43.28 97.15 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.163 -0.926 . . . . 73.12 110.924 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.83 -24.11 61.65 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.703 -0.68 . . . . 64.22 110.442 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.4 t -80.68 -34.46 34.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.458 0.703 . . . . 55.31 111.137 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.7 mtm -86.02 -52.52 5.65 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.134 0.574 . . . . 55.24 111.496 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 35.9 p -97.01 -19.47 18.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.245 0.618 . . . . 73.21 111.307 -172.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 88.66 -3.21 85.01 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-N 116.259 -0.428 . . . . 54.55 112.549 -174.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -136.58 143.16 43.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.86 0.864 . . . . 61.44 110.227 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 53.6 t -122.07 138.16 54.55 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.989 0.915 . . . . 71.41 108.929 175.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -77.02 -50.76 12.39 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.678 0.791 . . . . 74.25 111.652 -174.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . 0.441 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 35.4 m-85 -65.99 -28.87 69.22 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 113.056 0.761 . . . . 74.2 113.056 -174.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.84 -109.07 2.71 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 123.186 0.304 . . . . 65.24 113.111 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 15.0 t -72.58 -24.36 61.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.999 0.519 . . . . 64.41 110.745 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 56.5 mtp180 -77.17 -11.42 59.82 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.711 0.804 . . . . 74.45 111.769 177.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.48 137.73 48.42 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 123.064 0.545 . . . . 72.12 110.537 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.72 -49.89 48.87 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.397 -0.82 . . . . 71.13 111.19 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -93.38 151.44 19.76 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.064 0.946 . . . . 71.13 111.926 -166.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.23 129.71 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 124.517 1.127 . . . . 62.25 112.227 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -86.56 94.17 9.37 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.159 -0.682 . . . . 75.12 109.159 172.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.9 tptp . . . . . 0 C--O 1.241 0.614 0 N-CA-C 108.227 -1.027 . . . . 73.53 108.227 178.911 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 32.3 t80 . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 106.187 -1.783 . . . . 72.2 106.187 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt 53.47 15.77 0.78 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 126.023 1.729 . . . . 71.41 113.358 -174.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 p -85.54 0.47 52.34 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.177 0.991 . . . . 71.23 110.597 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -143.08 154.05 43.55 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.199 1.4 . . . . 50.42 108.308 172.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.25 156.36 38.57 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 121.655 0.74 . . . . 71.21 112.672 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.465 ' HG ' ' HG ' ' A' ' 119' ' ' CYS . 35.1 t -87.44 114.54 24.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.915 1.286 . . . . 75.05 109.642 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -68.59 -38.66 80.84 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.216 0.606 . . . . 74.31 110.901 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.85 70.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.701 0.801 . . . . 72.14 111.593 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -74.49 -33.25 62.8 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.393 0.677 . . . . 74.52 110.934 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -84.68 -26.2 27.92 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 122.623 0.369 . . . . 72.04 111.509 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -91.0 -51.74 5.19 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.957 0.503 . . . . 73.31 111.299 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.7 t -87.44 -13.51 43.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.299 0.64 . . . . 71.25 111.657 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 75.58 -65.51 0.32 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.08 1.352 . . . . 53.45 109.229 -175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.35 109.26 18.88 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.162 0.585 . . . . 71.14 109.524 170.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.0 t -70.43 132.25 45.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.72 0.808 . . . . 71.22 109.912 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.7 m -62.7 -37.76 87.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.811 0.845 . . . . 62.12 112.318 -172.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -75.73 -29.23 58.83 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.698 0.399 . . . . 71.53 110.995 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.96 -121.58 16.79 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.219 -0.446 . . . . 60.44 112.186 -177.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.04 -14.4 61.41 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.117 0.567 . . . . 71.04 111.668 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -83.95 -0.53 51.83 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.652 0.781 . . . . 72.24 111.332 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.465 ' HG ' ' HG ' ' A' ' 104' ' ' CYS . 48.1 t -71.81 128.11 34.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.712 0.805 . . . . 73.41 110.684 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -70.52 -22.48 62.62 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.049 0.94 . . . . 65.35 112.311 -175.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -103.0 161.16 13.99 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.639 0.775 . . . . 63.12 111.098 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.08 136.4 41.16 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.698 1.199 . . . . 71.33 113.112 -170.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -98.7 85.53 3.35 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.724 0.81 . . . . 63.25 109.535 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.76 157.32 33.48 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 115.667 -0.697 . . . . 75.12 111.683 -174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.05 -23.13 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.342 0.657 . . . . 54.11 110.486 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -68.14 -37.18 80.79 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.701 -0.681 . . . . 71.14 110.966 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -85.12 -14.75 46.12 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.754 0.821 . . . . 71.4 109.225 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tt -70.7 112.52 6.99 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.365 -0.976 . . . . 64.23 108.365 174.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.484 0 N-CA-C 108.047 -1.094 . . . . 63.42 108.047 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.242 0.699 0 N-CA-C 108.82 -0.807 . . . . 75.11 108.82 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.96 153.07 44.52 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.115 0.566 . . . . 73.52 110.835 176.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 156' ' ' CYS . 43.1 t -71.76 113.94 9.32 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.602 -0.888 . . . . 75.54 108.602 171.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.42 -45.41 88.52 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.049 0.939 . . . . 73.31 112.001 -170.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.516 ' HA ' ' HE2' ' A' ' 149' ' ' LYS . 9.7 mmpt? -72.43 -41.66 65.92 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.578 -0.737 . . . . 72.44 111.577 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.487 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 46.9 t80 -71.18 -26.61 63.04 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 122.196 -0.315 . . . . 74.41 111.127 -177.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.8 p -82.47 -48.86 10.57 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.912 0.485 . . . . 54.3 111.142 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 78.5 mtm -83.65 -54.05 5.21 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.743 0.417 . . . . 73.44 111.989 -173.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 68.5 p -97.24 -8.34 30.12 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.704 0.401 . . . . 65.22 111.633 -175.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 80.8 -0.56 86.21 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 114.0 0.36 . . . . 74.44 114.0 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -134.74 125.64 27.4 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.613 0.765 . . . . 73.34 109.016 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 52.6 t -106.57 121.76 44.96 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.176 -0.675 . . . . 71.54 109.176 176.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -23.2 60.97 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.858 0.863 . . . . 74.53 112.261 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . 0.548 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 78.8 m-85 -79.25 -32.82 43.88 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.22 0.608 . . . . 71.12 110.914 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.68 -109.38 2.72 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 116.067 -0.515 . . . . 72.13 113.341 177.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 67.7 p -72.96 -25.48 61.03 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.513 0.725 . . . . 75.23 111.014 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.3 mtm-85 -73.35 -21.35 60.56 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.665 -0.698 . . . . 75.23 110.871 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 46.1 t -71.58 118.34 14.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.545 0.738 . . . . 45.31 110.792 -178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 18.6 pm0 -92.18 -21.3 20.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.167 0.987 . . . . 62.12 110.804 -177.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -78.64 151.18 32.43 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.595 0.758 . . . . 73.53 111.416 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 30.1 mt -56.24 111.11 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.909 1.284 . . . . 65.25 112.838 -166.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -83.35 91.58 7.36 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.24 0.543 . . . . 74.1 109.61 167.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? . . . . . 0 C--O 1.242 0.7 0 C-N-CA 123.93 0.892 . . . . 75.22 109.014 170.454 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 107.801 -1.185 . . . . 71.01 107.801 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 67.86 28.28 7.07 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.72 1.208 . . . . 74.01 110.969 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 65.1 p -77.87 -23.22 48.89 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 114.788 -1.096 . . . . 75.15 110.461 171.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.47 156.09 45.36 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.087 1.355 . . . . 73.02 108.762 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 122' ' ' ALA . 98.7 mt -71.56 154.68 41.28 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.088 0.555 . . . . 70.31 111.159 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . 44.5 t -81.18 116.64 21.17 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.032 0.933 . . . . 73.25 110.493 -175.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.24 -42.29 94.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.171 0.988 . . . . 74.13 111.244 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.75 77.79 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.052 0.941 . . . . 74.14 111.869 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.429 ' HB3' ' HB3' ' A' ' 104' ' ' CYS . 78.9 t80 -74.63 -29.88 61.44 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.779 0.832 . . . . 71.32 111.055 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.422 ' HZ2' ' HB2' ' A' ' 108' ' ' LYS . 10.4 mtmp? -81.08 -31.49 34.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.419 0.288 . . . . 72.1 111.328 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -91.54 -50.87 5.55 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.059 0.544 . . . . 74.41 111.895 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.6 t -103.87 -12.62 16.78 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.361 0.664 . . . . 74.53 111.95 -171.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 72.24 -61.48 0.49 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.296 1.438 . . . . 65.33 110.629 -172.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.31 114.18 8.19 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.348 0.659 . . . . 62.32 110.231 172.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.1 t -93.12 126.58 38.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.259 1.024 . . . . 61.04 109.261 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.3 m -64.69 -32.03 73.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.7 0.8 . . . . 63.41 112.106 -174.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -72.81 -32.1 65.3 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.94 0.496 . . . . 64.43 111.533 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 61.11 -111.09 3.51 Favored Glycine 0 C--N 1.352 1.422 0 O-C-N 123.581 0.55 . . . . 74.35 114.167 174.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -70.62 -32.38 69.7 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.447 0.699 . . . . 74.4 110.674 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -90.46 19.5 5.21 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.074 0.949 . . . . 73.23 111.569 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.5 t -81.68 123.39 28.68 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.584 0.754 . . . . 62.01 110.278 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -88.12 16.09 6.59 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.718 0.807 . . . . 65.31 111.446 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -132.39 149.31 52.37 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.813 0.845 . . . . 61.44 109.44 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.465 ' HB3' HD23 ' A' ' 103' ' ' LEU . . . -74.44 131.45 41.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.356 1.062 . . . . 70.14 113.779 -163.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -98.77 34.71 2.0 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.099 0.96 . . . . 74.51 110.628 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 151.63 174.7 22.64 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 115.629 -0.714 . . . . 60.32 111.762 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.84 -30.13 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.336 0.654 . . . . 64.23 110.175 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -65.89 -33.35 75.63 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.383 -0.826 . . . . 62.44 110.791 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -83.09 -25.01 32.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.727 0.811 . . . . 73.44 111.07 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.3 tp -82.41 112.76 19.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.578 0.751 . . . . 74.02 111.405 -172.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 106.834 -1.543 . . . . 72.42 106.834 167.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 C--O 1.245 0.838 0 N-CA-C 109.143 -0.688 . . . . 72.3 109.143 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.425 HD23 ' HB ' ' A' ' 165' ' ' ILE . 91.5 mt -70.78 160.04 33.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.221 0.608 . . . . 63.14 110.505 174.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 150' ' ' PHE . 24.8 t -74.76 112.7 11.24 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.067 -0.716 . . . . 73.43 109.067 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.5 -33.12 70.86 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.495 0.718 . . . . 65.3 111.365 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -63.1 -50.13 71.7 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.382 0.673 . . . . 71.3 109.888 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.525 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 57.3 t80 -67.58 -21.59 65.42 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.618 -1.174 . . . . 64.42 111.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.4 t -84.68 -44.47 13.39 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.276 0.63 . . . . 55.12 111.653 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 75.5 mtm -82.76 -46.85 12.63 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.033 0.533 . . . . 70.54 111.887 -171.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.4 p -95.89 -23.09 17.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.739 0.416 . . . . 55.4 110.216 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 93.88 -4.95 72.37 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.954 -0.566 . . . . 63.13 112.503 -176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -133.66 140.19 46.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.678 0.791 . . . . 75.22 110.995 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 46.2 t -121.52 122.58 40.04 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.174 0.99 . . . . 72.41 108.898 176.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -73.39 -17.2 61.3 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.714 0.806 . . . . 33.41 112.346 -173.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -81.77 -40.16 23.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.163 0.585 . . . . 75.33 111.116 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.94 -113.35 5.68 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 123.384 0.428 . . . . 45.31 112.587 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 11.5 t -71.9 -16.54 62.13 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.227 0.611 . . . . 62.01 111.19 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -90.97 7.14 41.75 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.957 0.903 . . . . 74.23 111.725 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.42 130.3 34.62 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.303 0.641 . . . . 70.54 110.457 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -83.82 -4.03 58.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.716 0.406 . . . . 73.45 111.559 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.24 151.25 21.68 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.907 0.883 . . . . 70.04 110.806 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.425 ' HB ' HD23 ' A' ' 146' ' ' LEU . 33.0 mt -69.13 125.36 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.848 0.859 . . . . 74.21 111.153 -175.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -97.52 101.07 12.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.205 0.602 . . . . 75.14 110.567 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 124.013 0.925 . . . . 75.31 108.592 169.557 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.8 t80 . . . . . 0 C--O 1.239 0.543 0 N-CA-C 106.494 -1.669 . . . . 73.35 106.494 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 pttp 46.24 37.13 3.75 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.671 1.589 . . . . 72.31 112.465 -175.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.9 p -88.48 -13.48 40.19 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 113.994 -1.457 . . . . 63.01 110.601 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -124.72 145.0 49.93 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.624 1.17 . . . . 63.3 108.4 171.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 122' ' ' ALA . 78.9 mt -66.11 157.26 31.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.461 0.704 . . . . 72.41 112.175 -177.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.8 t -84.09 139.51 32.42 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.182 0.993 . . . . 71.42 111.187 -177.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -67.02 -41.13 87.13 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.168 0.987 . . . . 75.02 110.78 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.02 -25.77 61.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.963 0.905 . . . . 60.2 111.577 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -67.65 -32.77 73.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.803 0.841 . . . . 73.14 111.06 175.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -85.65 -50.91 6.82 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.12 0.568 . . . . 70.24 110.941 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -74.53 -51.15 15.51 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.506 0.722 . . . . 75.05 112.244 -173.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.8 m -105.07 -9.08 18.06 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.245 0.618 . . . . 74.34 111.829 -172.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 72.46 -59.93 0.55 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.399 1.48 . . . . 74.4 110.732 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.35 141.02 33.18 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.564 0.746 . . . . 73.33 110.281 170.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.1 t -105.58 125.89 51.51 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.738 0.815 . . . . 74.22 109.228 176.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.8 m -69.92 -26.95 64.39 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.554 0.742 . . . . 72.54 111.884 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' ' 119' ' ' CYS . 74.1 m-85 -75.96 -33.93 59.81 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.141 0.576 . . . . 73.44 110.898 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.02 -107.84 2.07 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 123.502 0.501 . . . . 72.34 113.099 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -80.05 -16.58 54.78 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.177 0.591 . . . . 70.31 111.363 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -78.1 -14.9 59.31 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.076 0.55 . . . . 70.13 110.985 174.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' ' 115' ' ' TYR . 42.3 t -79.04 121.49 25.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.603 0.761 . . . . 75.05 109.473 176.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -94.85 27.64 3.03 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.549 0.74 . . . . 75.23 111.237 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -130.87 145.3 51.96 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.053 0.941 . . . . 72.43 109.503 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.439 ' HB3' HD23 ' A' ' 103' ' ' LEU . . . -67.06 131.09 45.12 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.029 0.932 . . . . 44.24 113.351 -167.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -97.67 47.81 1.02 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.452 1.101 . . . . 74.4 109.278 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 134.88 164.51 10.52 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 114.862 -1.063 . . . . 74.22 111.962 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.48 -23.83 26.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.01 0.524 . . . . 61.12 111.136 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -62.5 -25.55 68.08 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.824 0.85 . . . . 72.44 111.908 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.461 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . 16.4 mm-40 -107.74 -9.58 15.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.4 0.68 . . . . 65.34 112.234 176.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -75.75 110.86 10.53 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.876 -0.787 . . . . 62.14 108.876 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.461 ' NH1' ' HA ' ' A' ' 127' ' ' GLU . 10.0 mpt_? . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 124.204 1.002 . . . . 74.4 109.266 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 108.939 -0.763 . . . . 71.41 108.939 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 59.1 mt -69.31 155.75 39.9 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.048 0.539 . . . . 44.54 110.383 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 156' ' ' CYS . 30.8 t -77.31 116.29 17.79 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.301 0.64 . . . . 74.21 110.481 -175.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.07 -50.1 71.89 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.983 0.913 . . . . 73.54 110.689 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -60.84 -41.34 95.62 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.69 0.796 . . . . 71.31 110.831 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -67.27 -30.53 70.43 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.9 -0.591 . . . . 71.41 110.767 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.9 t -86.9 -28.99 22.47 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.523 0.729 . . . . 61.32 112.235 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.1 mtm -98.11 -53.21 3.44 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.988 0.515 . . . . 63.22 111.649 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 41.8 p -96.57 -0.9 48.03 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.065 0.546 . . . . 72.32 111.566 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 99.03 -44.53 1.69 Allowed Glycine 0 C--N 1.349 1.302 0 CA-C-N 116.559 -0.292 . . . . 73.32 112.65 174.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -128.45 149.86 50.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.577 0.751 . . . . 74.44 109.538 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . 0.42 ' SG ' ' SG ' ' A' ' 147' ' ' CYS . 53.0 t -78.85 121.19 24.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.931 0.892 . . . . 65.41 110.096 -178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -21.75 61.84 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.137 0.575 . . . . 74.34 111.728 -177.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -71.83 -29.67 64.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.424 0.69 . . . . 72.11 111.013 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.53 -115.72 7.93 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 123.769 0.668 . . . . 72.32 113.199 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.9 t -83.57 -7.04 59.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.442 0.697 . . . . 74.24 111.507 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -98.23 12.26 35.23 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.7 0.8 . . . . 73.34 111.001 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.55 152.1 46.23 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.61 0.764 . . . . 52.33 112.52 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.08 2.79 13.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.033 0.933 . . . . 74.24 111.456 -176.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -129.53 151.45 50.14 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.817 0.847 . . . . 73.52 110.749 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 30.1 mt -64.29 124.27 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.231 1.012 . . . . 73.32 111.645 -173.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -86.24 95.83 9.74 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.394 0.678 . . . . 70.32 109.363 173.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.48 -0.563 . . . . 74.01 109.48 173.08 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 110.016 -0.364 . . . . 54.32 110.016 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 60.32 27.91 17.5 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.259 1.423 . . . . 74.04 112.96 166.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.1 p -72.03 -26.5 62.22 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.194 0.998 . . . . 63.44 111.195 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.88 162.48 29.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.712 1.205 . . . . 73.32 108.745 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.44 156.61 38.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.215 0.606 . . . . 71.43 111.764 -177.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 51.5 t -91.09 119.68 31.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.685 1.194 . . . . 64.1 110.685 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.13 -43.6 98.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.525 0.73 . . . . 72.54 110.638 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.37 70.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.845 0.858 . . . . 73.11 112.052 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -73.05 -35.8 66.79 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.122 0.569 . . . . 63.44 110.588 176.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -81.17 -27.68 35.31 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 112.009 0.374 . . . . 71.14 112.009 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -90.91 -51.02 5.56 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.928 0.491 . . . . 75.24 111.024 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.0 m -113.12 -5.04 13.73 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.049 0.759 . . . . 64.13 113.049 -169.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 69.6 -71.35 0.12 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.063 1.345 . . . . 54.42 111.129 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.93 96.18 1.66 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.173 0.589 . . . . 75.23 110.324 176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 23.3 t -72.96 127.19 31.83 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.2 1.0 . . . . 64.5 110.054 177.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.7 t -64.69 -31.66 72.99 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.924 0.89 . . . . 74.1 112.109 -173.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -70.91 -35.31 72.23 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.025 0.53 . . . . 71.32 111.656 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.0 -109.09 2.34 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.286 0.366 . . . . 75.02 113.19 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.43 -28.63 59.43 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.641 0.777 . . . . 71.44 110.954 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -76.52 -2.35 31.87 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.486 0.715 . . . . 61.44 111.889 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 12.5 t -69.96 127.27 32.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.587 0.755 . . . . 55.13 110.733 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -88.12 11.35 16.47 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.779 0.832 . . . . 72.12 111.273 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -133.43 152.04 51.87 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.336 1.054 . . . . 64.0 109.984 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.56 137.4 37.14 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.52 1.128 . . . . 72.31 112.366 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -97.86 28.68 3.76 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.138 0.975 . . . . 70.05 109.972 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 167.56 162.08 18.54 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 115.572 -0.74 . . . . 72.23 111.336 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.41 -24.35 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.467 0.707 . . . . 74.05 110.945 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -64.19 -34.43 78.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.659 1.184 . . . . 72.12 111.109 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -93.07 2.85 56.55 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.718 -0.674 . . . . 63.32 112.28 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.1 mt -74.72 111.32 9.8 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.368 -0.604 . . . . 65.31 109.368 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? . . . . . 0 C--O 1.236 0.37 0 N-CA-C 108.212 -1.032 . . . . 74.43 108.212 -175.9 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 109.835 -0.431 . . . . 72.34 109.835 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 167' ' ' LYS . 81.0 mt -77.43 160.0 29.03 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.739 0.815 . . . . 75.24 111.548 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . 0.435 ' HG ' ' HG ' ' A' ' 156' ' ' CYS . 54.1 t -82.77 115.6 21.76 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.225 1.01 . . . . 75.5 109.291 179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.84 -53.64 55.54 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.825 0.85 . . . . 75.04 111.234 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.441 ' HE2' ' HE3' ' A' ' 157' ' ' LYS . 32.3 mmmt -59.16 -45.46 90.93 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.366 -0.834 . . . . 73.55 111.418 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.41 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 34.8 t80 -75.98 -29.23 58.14 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.997 -0.547 . . . . 65.23 110.859 -172.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 63.9 m -73.28 -32.67 64.79 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.798 0.439 . . . . 74.51 111.305 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.7 mtm -88.44 -52.76 5.01 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.84 0.456 . . . . 60.32 111.746 -174.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 61.5 p -98.22 -27.12 14.3 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.091 0.556 . . . . 60.14 111.876 -173.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 92.58 4.76 65.51 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 116.304 -0.407 . . . . 62.22 112.292 -171.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -136.23 138.83 42.25 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.125 0.97 . . . . 62.31 110.035 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . 0.435 ' HG ' ' HG ' ' A' ' 147' ' ' CYS . 47.2 t -121.77 124.25 43.74 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.908 0.883 . . . . 71.54 109.684 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.441 ' HE3' ' HE2' ' A' ' 149' ' ' LYS . 18.3 ptpt -67.79 -24.65 65.33 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.772 0.829 . . . . 74.51 112.492 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -78.47 -24.61 45.88 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.174 0.59 . . . . 74.42 110.886 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.15 -124.63 30.51 Favored Glycine 0 C--N 1.351 1.361 0 O-C-N 123.558 0.536 . . . . 61.41 113.234 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.4 p -71.99 -20.74 61.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.401 0.68 . . . . 74.22 111.669 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -82.04 -1.49 48.6 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.477 0.711 . . . . 75.43 111.95 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.36 123.1 20.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.134 0.574 . . . . 75.0 110.309 175.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -77.08 -32.01 56.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.555 0.742 . . . . 75.24 111.502 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -83.47 148.02 27.49 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.203 0.601 . . . . 73.23 111.238 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.63 118.09 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.716 1.206 . . . . 72.14 111.7 -174.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -76.07 92.27 3.18 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.733 0.778 . . . . 75.11 109.712 169.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.41 ' HB2' HD22 ' A' ' 146' ' ' LEU . 28.1 tptp . . . . . 0 C--O 1.242 0.66 0 CA-C-N 114.275 -1.329 . . . . 63.4 108.213 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.8 t80 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 108.865 -0.791 . . . . 72.2 108.865 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.0 pttp 47.83 47.19 18.47 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 126.195 1.798 . . . . 72.5 113.104 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.0 p -97.41 -10.7 24.97 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.478 -1.237 . . . . 73.25 111.072 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.17 145.02 51.79 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.785 1.234 . . . . 75.4 108.857 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.02 149.95 22.02 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.632 0.975 . . . . 73.43 113.632 -173.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . 36.3 t -84.91 113.68 21.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.586 -1.188 . . . . 71.03 108.998 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.3 -33.4 72.31 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.915 0.886 . . . . 64.22 110.838 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.5 76.12 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.428 0.691 . . . . 54.13 111.579 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.416 ' HB3' ' HB3' ' A' ' 104' ' ' CYS . 77.6 t80 -72.55 -31.41 65.25 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.844 0.857 . . . . 70.44 111.019 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -77.78 -52.82 8.31 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.125 -0.489 . . . . 64.43 111.114 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -82.31 -49.99 9.44 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.124 0.569 . . . . 64.54 111.218 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 m -101.42 -20.72 15.03 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.306 0.643 . . . . 54.13 111.989 -172.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 61.25 27.54 17.23 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.539 1.135 . . . . 54.12 111.381 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.71 122.13 7.89 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.056 0.942 . . . . 75.34 109.176 -177.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 50.8 t -119.75 126.17 50.4 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.695 0.798 . . . . 62.21 109.213 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 m -74.84 -19.08 60.32 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.659 0.784 . . . . 74.52 111.98 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -83.1 -18.61 38.95 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.355 0.662 . . . . 71.53 111.595 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.57 -135.38 33.33 Favored Glycine 0 C--N 1.35 1.355 0 O-C-N 123.431 0.457 . . . . 52.04 113.143 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -70.4 -21.19 62.88 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.231 0.612 . . . . 75.44 111.299 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -81.02 5.68 15.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.392 0.677 . . . . 75.44 111.596 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.41 132.85 52.77 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.994 0.917 . . . . 74.03 110.879 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -83.96 9.06 13.21 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.391 0.677 . . . . 61.22 111.507 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -127.74 140.83 51.82 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.021 0.928 . . . . 63.34 109.693 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.0 133.2 47.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.846 1.258 . . . . 70.31 112.976 -171.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -95.04 46.0 1.11 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.753 0.821 . . . . 73.4 110.788 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.53 173.33 13.35 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 115.984 -0.553 . . . . 73.34 112.555 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.78 -25.07 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.267 0.627 . . . . 72.14 111.007 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -69.78 -26.78 64.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.545 0.738 . . . . 70.42 110.782 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -91.18 -12.13 36.29 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.377 0.671 . . . . 72.31 111.962 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.25 110.34 9.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.19 0.519 . . . . 64.11 110.371 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 107.388 -1.338 . . . . 75.3 107.388 169.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 109.369 -0.604 . . . . 73.04 109.369 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 67.7 mt -76.19 155.53 34.45 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.776 0.43 . . . . 61.33 110.782 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 25.8 t -81.03 115.94 20.74 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.703 0.801 . . . . 74.32 110.634 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.35 -40.75 97.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.675 1.19 . . . . 63.34 110.738 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -61.94 -50.57 71.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.818 0.847 . . . . 61.21 110.863 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 33.1 t80 -68.65 -27.72 66.25 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.939 0.896 . . . . 72.03 110.298 -176.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 46.8 t -71.92 -45.52 60.9 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.65 0.78 . . . . 74.43 111.387 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 56.4 mtm -81.31 -53.59 6.2 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.605 0.362 . . . . 72.45 111.917 -173.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.8 p -96.47 -0.78 48.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.984 -0.553 . . . . 75.42 111.887 -168.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 93.1 -44.58 2.49 Favored Glycine 0 C--N 1.349 1.267 0 N-CA-C 112.427 -0.269 . . . . 71.13 112.427 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -122.39 157.65 31.41 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.855 0.862 . . . . 74.11 110.119 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 42.9 t -100.98 122.74 44.05 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.986 0.915 . . . . 71.34 109.075 177.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -66.0 -25.3 67.02 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.252 0.621 . . . . 60.03 111.889 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -67.71 -34.22 76.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.595 0.758 . . . . 72.21 110.832 176.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 68.7 -127.68 22.99 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 123.701 0.625 . . . . 51.31 112.807 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 36.7 p -77.79 -4.8 48.27 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.035 0.534 . . . . 73.35 111.521 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -88.98 3.75 50.53 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.328 0.651 . . . . 61.52 110.976 172.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 41.9 t -81.19 143.73 32.13 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.411 0.684 . . . . 74.11 110.351 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -104.57 16.07 26.81 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.78 0.832 . . . . 70.35 110.965 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -126.98 150.65 49.3 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.102 0.961 . . . . 64.4 110.731 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.15 129.98 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.067 0.947 . . . . 73.53 111.403 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -104.27 94.81 5.55 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.927 0.891 . . . . 63.2 109.496 174.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.364 -0.976 . . . . 64.21 108.364 171.71 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 C--O 1.238 0.464 0 CA-C-O 121.396 0.617 . . . . 53.24 112.339 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.53 ' HB2' ' HB2' ' A' ' 129' ' ' ARG . 29.5 mmtp 65.36 17.92 11.15 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.345 1.858 . . . . 63.01 112.243 169.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 p -70.86 -34.32 71.51 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.739 0.816 . . . . 42.35 112.194 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -128.53 160.59 31.86 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.069 0.948 . . . . 63.34 109.293 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.1 152.48 42.32 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.181 0.515 . . . . 52.13 111.17 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.3 t -86.38 111.27 20.33 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.348 1.059 . . . . 61.31 109.647 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.86 -45.51 93.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.928 0.891 . . . . 73.12 110.17 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.83 74.6 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.323 1.015 . . . . 72.43 111.753 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.38 -62.52 1.55 Allowed 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.598 -0.728 . . . . 64.33 110.216 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -64.51 -37.29 87.03 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.58 0.752 . . . . 74.13 113.011 -168.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -66.8 -33.93 76.69 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.067 0.547 . . . . 63.0 111.737 -175.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.3 p -113.43 -1.3 14.21 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.321 0.649 . . . . 72.2 111.901 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 67.76 19.2 9.7 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.271 1.428 . . . . 74.42 112.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.47 140.68 6.11 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.7 1.2 . . . . 65.52 109.256 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.83 126.75 52.22 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.33 -0.619 . . . . 52.32 109.33 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 p -65.28 -36.44 84.11 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.775 0.83 . . . . 74.15 111.616 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -71.62 -39.83 70.19 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.652 0.781 . . . . 74.33 110.823 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.86 -98.97 0.23 Allowed Glycine 0 C--N 1.348 1.218 0 CA-C-N 115.714 -0.675 . . . . 64.12 113.029 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -79.32 -22.73 44.14 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.366 0.667 . . . . 62.11 111.294 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -87.94 10.66 18.05 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.181 0.592 . . . . 74.41 111.445 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 47.6 t -85.52 134.67 34.02 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.085 0.554 . . . . 75.42 110.029 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -91.55 -2.77 57.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.65 0.78 . . . . 73.4 111.91 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -115.15 153.07 31.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.516 0.726 . . . . 73.31 110.361 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.77 141.18 46.28 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.967 0.907 . . . . 72.42 112.237 -174.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -101.86 29.53 4.93 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.96 0.904 . . . . 72.41 111.151 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.81 165.57 23.37 Favored Glycine 0 C--N 1.339 0.709 0 CA-C-N 115.617 -0.72 . . . . 62.14 111.495 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.98 -37.13 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.291 0.636 . . . . 74.43 109.827 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -66.96 -28.29 68.16 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 114.862 -1.063 . . . . 73.01 110.968 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 -13.65 47.08 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.855 1.262 . . . . 73.02 110.491 -174.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.15 123.9 19.78 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.839 0.856 . . . . 72.25 112.601 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.53 ' HB2' ' HB2' ' A' ' 100' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 106.608 -1.627 . . . . 63.52 106.608 161.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 108.885 -0.784 . . . . 63.22 108.885 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.0 mt -72.17 160.6 32.17 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.662 0.785 . . . . 74.42 111.148 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.43 115.0 11.17 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 123.634 0.774 . . . . 60.33 110.89 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.47 -32.38 73.96 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.986 0.914 . . . . 74.33 110.825 -177.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -71.72 -40.17 69.64 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.612 -0.722 . . . . 73.24 110.985 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -70.72 -30.58 67.16 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.942 -177.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.7 p -85.82 -51.73 6.21 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.403 0.681 . . . . 62.41 111.621 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.0 mtm -81.29 -52.65 7.08 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.72 0.408 . . . . 52.44 111.702 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 82.7 p -96.6 -1.48 46.81 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.582 0.353 . . . . 63.02 111.525 -174.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 94.53 -43.02 2.37 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 116.258 -0.428 . . . . 52.24 113.88 169.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -128.11 161.6 28.86 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 117.098 0.449 . . . . 61.1 110.962 -175.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 49.5 t -121.05 121.95 39.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.411 1.085 . . . . 64.51 108.731 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -78.82 -28.44 44.43 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.25 0.62 . . . . 74.01 111.896 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -72.66 -41.78 65.04 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.087 0.555 . . . . 73.31 111.171 -175.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.79 -103.23 0.8 Allowed Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.732 -0.667 . . . . 64.44 112.495 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.9 t -73.69 -21.12 60.34 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.708 0.803 . . . . 61.13 111.273 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -88.23 -0.75 57.47 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.723 0.809 . . . . 73.12 111.457 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.47 141.81 37.97 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.273 0.629 . . . . 64.01 109.97 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 20.4 pm0 -97.71 -12.84 21.88 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.336 0.655 . . . . 73.01 111.517 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.56 150.96 20.54 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.912 0.885 . . . . 74.34 110.543 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.2 127.37 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.978 0.911 . . . . 64.34 111.279 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -93.04 94.65 8.99 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.331 -0.618 . . . . 74.53 109.331 170.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 108.384 -0.969 . . . . 71.12 108.384 173.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 110.24 -0.282 . . . . 73.2 110.24 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 127' ' ' GLU . 72.2 mmtt 70.82 -9.29 0.84 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.489 1.515 . . . . 52.24 114.162 166.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.4 p -72.71 -10.84 60.26 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.872 0.869 . . . . 53.4 111.806 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.11 149.7 46.18 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.739 1.215 . . . . 71.04 108.642 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 122' ' ' ALA . 82.0 mt -75.55 159.15 31.57 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.685 0.794 . . . . 63.21 111.492 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 38.0 t -81.81 122.7 28.04 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.568 -1.197 . . . . 72.24 109.841 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.81 -38.79 89.44 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.56 0.744 . . . . 62.11 111.652 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.69 83.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.896 0.878 . . . . 70.43 110.848 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -70.44 -40.67 73.64 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.694 0.798 . . . . 63.24 111.307 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -71.21 -39.65 71.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.512 0.325 . . . . 60.14 111.71 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -90.63 -51.12 5.55 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.047 0.539 . . . . 74.54 111.745 -174.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.0 m -111.65 -16.56 13.21 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.299 0.64 . . . . 74.44 112.359 -169.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 75.08 -46.88 0.6 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 126.189 1.796 . . . . 75.13 111.912 -173.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.23 112.86 7.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.445 0.698 . . . . 53.11 111.17 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 51.8 t -99.33 126.79 45.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.127 0.971 . . . . 64.3 109.437 176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.1 t -65.96 -38.71 89.27 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.856 0.862 . . . . 64.2 111.774 -176.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -73.56 -30.87 63.32 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.869 0.468 . . . . 74.23 111.019 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.63 -119.51 10.15 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 116.05 -0.523 . . . . 74.54 112.764 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.35 -7.45 58.36 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.017 0.527 . . . . 74.34 111.747 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -91.41 1.56 57.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.179 0.592 . . . . 74.52 110.9 173.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.6 t -74.34 122.82 23.51 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.107 0.963 . . . . 72.52 109.807 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.457 ' HD3' ' H ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -73.2 -25.82 60.92 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.569 0.348 . . . . 73.52 111.58 -178.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.34 158.96 18.27 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.944 0.497 . . . . 70.22 111.208 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.455 ' HB3' HD23 ' A' ' 103' ' ' LEU . . . -77.7 138.17 38.91 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.287 1.035 . . . . 52.33 112.943 -168.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -105.46 43.87 1.08 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.732 0.813 . . . . 63.45 110.177 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.14 169.19 13.9 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 115.412 -0.813 . . . . 64.4 111.917 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.26 -23.87 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 123.255 0.622 . . . . 70.13 111.095 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -66.31 -31.43 72.23 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.623 0.769 . . . . 74.44 110.888 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 100' ' ' LYS . 49.7 mt-10 -92.39 -24.96 18.71 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.742 0.817 . . . . 63.31 111.075 174.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 43.0 tp -70.38 114.26 8.33 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.208 0.527 . . . . 73.12 110.898 -174.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 . . . . . 0 C--O 1.24 0.58 0 C-N-CA 124.574 1.149 . . . . 71.25 108.828 179.432 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.008 -0.738 . . . . 74.24 109.008 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.84 152.39 44.61 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.329 0.651 . . . . 74.33 111.812 -177.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 15.0 t -84.66 115.43 22.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.84 0.856 . . . . 75.55 109.294 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.16 -48.43 81.61 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.112 0.965 . . . . 73.14 110.552 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -70.78 -40.88 72.33 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.108 -0.951 . . . . 73.41 111.45 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -69.56 -25.98 64.26 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 122.209 0.204 . . . . 61.35 110.858 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.8 p -86.78 -42.81 13.01 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.193 0.597 . . . . 62.54 111.693 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 59.8 mtm -85.15 -54.24 4.75 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.023 0.379 . . . . 63.23 112.023 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 62.7 p -96.26 -18.52 19.97 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.957 0.503 . . . . 62.52 110.7 -173.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 98.37 -23.7 35.06 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 115.94 -0.573 . . . . 61.52 113.035 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -124.87 132.24 53.34 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.099 0.559 . . . . 63.11 110.864 -171.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 35.4 t -110.98 122.84 48.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.488 1.115 . . . . 65.11 108.816 175.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.77 -30.72 69.38 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.781 0.832 . . . . 74.34 112.214 -174.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -73.19 -40.26 64.92 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.321 0.648 . . . . 74.24 110.768 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.04 -101.92 0.47 Allowed Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.584 -0.735 . . . . 41.44 112.706 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.7 p -81.29 -7.19 59.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.733 0.813 . . . . 72.32 111.918 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -96.3 -4.56 41.93 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.51 0.724 . . . . 72.31 111.132 173.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 53.1 t -79.49 117.22 20.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.196 0.598 . . . . 51.11 110.127 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.42 -18.12 60.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.321 0.648 . . . . 75.11 111.453 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -81.13 149.15 29.28 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.967 0.907 . . . . 73.23 111.854 -177.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.86 112.71 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.49 1.116 . . . . 60.12 110.725 178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -73.37 93.02 1.88 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.672 0.748 . . . . 64.35 109.562 170.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 57.9 tptt . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 114.086 -1.415 . . . . 75.41 110.299 -176.588 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 CA--C 1.544 0.717 0 N-CA-C 109.159 -0.682 . . . . 75.02 109.159 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 128' ' ' LEU . 54.0 mtmt 69.55 9.0 7.05 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.538 1.535 . . . . 64.21 113.548 174.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -73.63 -16.33 61.23 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.947 0.499 . . . . 74.54 111.115 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.04 158.02 45.42 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.421 1.089 . . . . 71.42 108.958 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.3 mt -76.79 151.78 35.83 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.973 0.509 . . . . 74.35 111.072 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 25.2 t -77.45 122.11 24.75 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.245 1.018 . . . . 54.01 108.921 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 109' ' ' ARG . 28.2 t70 -65.4 -42.8 92.22 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.839 0.456 . . . . 54.23 110.816 -176.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.27 65.44 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.329 1.052 . . . . 42.44 112.039 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -68.25 -40.86 81.83 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.58 0.752 . . . . 71.02 110.557 176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -73.4 -24.29 60.27 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 116.385 -0.37 . . . . 74.22 111.483 -176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 30.9 mmt180 -89.86 -46.66 8.4 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.063 0.545 . . . . 61.44 111.01 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 t -107.19 -7.62 16.74 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.901 0.704 . . . . 75.22 112.901 -168.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 67.85 -71.76 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.631 1.172 . . . . 73.33 109.934 -171.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.01 101.62 5.32 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.235 0.614 . . . . 74.3 109.349 172.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.452 ' SG ' ' SG ' ' A' ' 119' ' ' CYS . 41.2 t -80.75 125.74 30.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.519 0.728 . . . . 73.44 109.546 177.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.7 t -64.68 -32.05 73.54 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.232 1.013 . . . . 64.4 112.193 -172.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.646 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 72.4 m-85 -63.32 -44.17 95.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.931 0.492 . . . . 75.44 111.262 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.32 -112.07 4.69 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 111.546 -0.622 . . . . 73.25 111.546 -172.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -80.44 -8.13 59.42 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.189 0.596 . . . . 75.51 111.712 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -76.56 -11.88 59.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.286 0.634 . . . . 71.32 111.442 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.646 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 63.9 m -72.62 131.35 42.32 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 123.004 0.521 . . . . 70.12 110.217 169.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -77.71 -31.51 52.35 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.235 -0.654 . . . . 75.42 109.235 168.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -79.74 159.63 26.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.998 0.919 . . . . 72.4 111.531 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 127' ' ' GLU . . . -76.17 142.16 41.65 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.57 1.148 . . . . 53.11 112.049 -173.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -104.99 29.25 6.48 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.129 0.972 . . . . 75.41 109.796 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.43 148.95 9.78 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 115.568 -0.742 . . . . 64.42 111.566 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 67.3 t -66.42 -33.98 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.645 0.778 . . . . 64.03 110.547 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -65.65 -23.63 66.85 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.93 -0.577 . . . . 63.14 111.54 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.434 ' HB2' ' HB1' ' A' ' 122' ' ' ALA . 35.3 mt-10 -87.96 -10.39 50.65 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.685 0.794 . . . . 74.45 111.801 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.422 ' HA ' ' O ' ' A' ' 100' ' ' LYS . 62.2 mt -64.47 114.2 4.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.079 0.552 . . . . 43.41 111.238 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 124.223 1.009 . . . . 73.52 110.084 -178.253 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 109.039 -0.726 . . . . 70.34 109.039 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.35 155.08 38.35 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.179 0.592 . . . . 55.04 110.889 176.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . 0.431 ' HG ' ' HG ' ' A' ' 156' ' ' CYS . 13.9 t -86.0 113.94 22.49 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.569 -0.9 . . . . 72.42 108.569 177.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.89 -46.6 74.41 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.485 0.714 . . . . 72.42 111.292 -173.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -62.26 -44.77 95.79 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.601 0.76 . . . . 63.14 111.022 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -70.66 -23.05 62.44 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.293 -0.412 . . . . 75.43 110.711 -175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 56.8 m -80.13 -50.21 10.62 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.692 0.397 . . . . 61.52 111.107 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.2 mtm -76.46 -51.27 12.1 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.262 0.625 . . . . 74.22 112.127 -170.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 59.8 p -97.03 -21.18 17.55 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.94 0.496 . . . . 73.41 110.855 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 89.09 1.79 78.74 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 116.174 -0.466 . . . . 72.3 112.596 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -133.43 129.59 37.51 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.927 0.891 . . . . 71.02 109.615 -173.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' CYS . . . . . 0.431 ' HG ' ' HG ' ' A' ' 147' ' ' CYS . 50.8 t -104.41 122.7 46.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.632 0.773 . . . . 74.25 110.132 177.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -23.82 62.0 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.362 1.065 . . . . 72.33 112.656 -178.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -80.26 -40.75 26.34 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.103 0.561 . . . . 75.41 110.335 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.43 -102.86 0.79 Allowed Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.793 -0.64 . . . . 45.32 113.595 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.4 p -79.1 -22.79 44.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.883 0.873 . . . . 71.53 111.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -78.19 -12.38 59.99 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.546 0.738 . . . . 70.54 110.747 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 164' ' ' PHE . 35.1 t -73.34 118.55 16.42 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.583 0.753 . . . . 64.14 110.748 -176.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -86.33 3.03 45.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.646 0.778 . . . . 62.25 110.843 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' PHE . . . . . 0.454 ' HB2' ' SG ' ' A' ' 162' ' ' CYS . 81.3 m-85 -101.86 151.03 22.56 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.138 0.975 . . . . 62.43 111.519 -171.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.15 112.79 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 124.847 1.259 . . . . 60.22 111.244 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -87.36 95.65 10.08 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.328 0.651 . . . . 74.51 110.167 174.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt . . . . . 0 N--CA 1.476 0.847 0 C-N-CA 123.26 0.624 . . . . 74.45 109.756 172.412 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.413 ' HB2' HG21 ' A' ' 101' ' ' THR . 62.7 p . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.508 0.194 . . . . 72.14 110.921 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -69.15 153.31 43.92 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.024 0.93 . . . . 62.4 110.306 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.31 -16.58 62.46 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.888 0.699 . . . . 65.41 112.888 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 120' ' ' ARG . 67.3 m-85 -90.47 125.77 35.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.089 0.556 . . . . 72.11 111.746 -177.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 127' ' ' GLU . 67.7 mmtt 68.98 10.94 8.19 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.065 1.746 . . . . 70.13 114.067 161.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 96' ' ' SER . 38.1 p -87.09 -6.88 58.53 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.463 0.705 . . . . 62.12 111.66 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.72 155.71 41.38 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.279 1.032 . . . . 71.43 109.391 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.21 158.0 33.66 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.687 0.795 . . . . 73.25 111.384 178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 46.6 t -87.19 112.88 22.42 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.952 0.901 . . . . 74.13 110.886 -176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.42 -43.04 93.14 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.065 0.946 . . . . 74.4 111.333 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.02 -37.4 87.3 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.821 0.849 . . . . 63.52 111.467 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -73.33 -36.59 66.23 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.006 0.522 . . . . 75.11 111.015 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -74.36 -45.05 49.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.714 0.406 . . . . 72.14 111.457 -177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -90.56 -50.48 5.91 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.301 0.64 . . . . 72.33 112.017 -172.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.3 t -100.17 -16.22 17.87 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 123.196 0.599 . . . . 74.33 111.861 -173.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 75.14 -50.88 0.66 Allowed 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 125.75 1.62 . . . . 71.24 111.71 -174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.41 133.55 48.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.527 0.731 . . . . 71.05 110.655 173.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.5 t -118.95 128.86 54.8 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.193 -1.04 . . . . 53.14 108.193 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 m -60.71 -33.86 73.52 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.082 0.953 . . . . 64.34 112.891 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -92.78 -18.71 22.57 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.341 0.656 . . . . 70.23 111.683 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.77 -122.85 12.37 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-O 119.879 -0.4 . . . . 52.33 112.633 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.36 -11.94 59.98 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.501 0.721 . . . . 72.34 111.771 177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -90.84 11.01 23.9 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.445 0.698 . . . . 71.23 111.292 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 38.6 t -68.45 125.75 27.45 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.036 0.934 . . . . 73.41 110.724 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 99' ' ' PHE . 38.8 ptt180 -68.68 -9.69 51.77 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.455 0.702 . . . . 72.11 111.653 178.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -104.21 159.94 15.28 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.361 0.664 . . . . 73.11 110.948 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.55 131.89 35.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.483 1.113 . . . . 64.31 111.677 -174.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -100.49 31.22 3.54 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.845 0.858 . . . . 73.2 110.705 176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 166.77 168.8 29.5 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 111.699 -0.561 . . . . 64.24 111.699 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.12 -30.58 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 123.524 0.73 . . . . 71.22 110.831 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -71.23 -34.92 71.23 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.36 0.664 . . . . 74.33 110.251 176.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 100' ' ' LYS . 17.7 mm-40 -75.42 -24.89 57.17 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.263 -0.88 . . . . 74.01 110.753 174.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.7 tp -80.29 113.14 18.25 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.421 0.688 . . . . 71.11 110.789 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.35 79.05 1.64 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 107.45 -1.315 . . . . 74.42 107.45 168.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.04 160.38 81.83 Favored Pre-proline 0 CA--C 1.554 1.103 0 CA-C-N 115.685 -0.689 . . . . 75.15 111.314 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.57 106.82 0.23 Allowed 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 122.416 2.077 . . . . 64.1 111.033 171.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 21.8 mmt -71.23 96.3 1.38 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.777 0.831 . . . . 61.32 110.761 -171.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -78.61 140.79 59.72 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.338 0.655 . . . . 74.21 109.585 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.81 131.8 35.08 Favored 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 123.085 2.523 . . . . 55.33 113.562 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -87.22 -2.33 58.55 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.026 0.93 . . . . 73.32 111.346 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.69 79.7 0.34 Allowed Glycine 0 C--N 1.352 1.47 0 O-C-N 123.685 0.616 . . . . 75.22 112.804 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -132.91 -31.26 1.31 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.801 0.84 . . . . 75.21 109.962 -176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -66.2 149.97 49.51 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.009 0.924 . . . . 72.12 110.943 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -73.59 111.91 13.98 Favored Pre-proline 0 CA--C 1.555 1.164 0 C-N-CA 124.254 1.022 . . . . 74.13 110.809 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -95.56 99.52 0.1 Allowed 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 123.403 2.735 . . . . 72.04 111.753 177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.543 ' HD3' ' HA ' ' A' ' 144' ' ' THR . 15.4 ptpt -92.56 113.59 25.91 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.484 0.659 . . . . 74.11 112.31 -175.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -74.42 -46.79 37.76 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 107.898 -1.149 . . . . 74.43 107.898 163.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -84.24 110.76 18.8 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.937 -1.134 . . . . 73.53 107.937 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.543 ' HA ' ' HD3' ' A' ' 141' ' ' LYS . 67.3 p -104.07 -60.5 1.57 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 112.234 0.457 . . . . 63.35 112.234 -168.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.6 t -97.06 155.19 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 C-N-CA 124.176 0.99 . . . . 43.23 108.61 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.466 HD23 ' HB ' ' A' ' 165' ' ' ILE . 83.5 mt -65.1 151.08 46.94 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 118.622 0.646 . . . . 73.25 111.867 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 9.8 t -87.98 113.1 23.29 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.636 0.774 . . . . 61.44 109.131 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -74.98 -37.75 61.83 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.197 0.599 . . . . 74.54 111.082 -174.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -64.21 -42.0 96.8 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.488 0.715 . . . . 74.21 110.729 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -69.15 -24.22 64.06 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.507 -0.769 . . . . 71.52 110.705 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.8 t -85.17 -31.98 22.94 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.317 0.647 . . . . 75.1 111.614 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.2 mtm -90.24 -54.11 4.16 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.797 0.439 . . . . 74.24 111.598 -175.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 68.3 p -98.18 -10.08 24.69 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.203 0.601 . . . . 61.31 111.513 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 79.64 3.3 88.93 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 116.206 -0.452 . . . . 70.1 113.003 -176.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -137.68 134.95 36.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.329 0.651 . . . . 73.44 110.727 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 32.0 t -121.41 122.1 39.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.739 1.215 . . . . 65.43 108.107 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -70.14 -25.75 63.62 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.294 0.638 . . . . 73.34 112.593 -169.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -74.22 -35.97 63.92 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.212 0.605 . . . . 74.44 111.117 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.39 -109.07 2.71 Favored Glycine 0 C--N 1.349 1.276 0 CA-C-N 115.833 -0.621 . . . . 71.53 112.434 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 68.9 p -74.14 -25.11 59.56 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.251 0.62 . . . . 72.41 111.137 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -72.94 -16.78 61.53 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.926 0.89 . . . . 72.33 111.624 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 48.3 t -61.11 125.91 25.43 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.651 0.781 . . . . 73.12 111.441 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -82.07 3.67 25.95 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.809 0.844 . . . . 74.31 111.183 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -117.95 147.17 43.42 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.154 0.982 . . . . 73.5 110.98 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.466 ' HB ' HD23 ' A' ' 146' ' ' LEU . 59.5 mt -71.76 117.35 14.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.795 1.238 . . . . 62.31 110.989 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -78.62 94.28 5.0 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.04 0.536 . . . . 70.11 109.679 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -108.17 124.86 50.9 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.197 -0.911 . . . . 74.44 109.067 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 68.3 mt -76.71 98.54 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 N-CA-C 108.763 -0.829 . . . . 75.22 108.763 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.45 125.02 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.845 0.858 . . . . 73.04 110.018 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -75.35 154.98 36.96 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.463 0.705 . . . . 74.13 110.982 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 117.67 134.44 5.16 Favored Glycine 0 C--N 1.342 0.862 0 N-CA-C 111.135 -0.786 . . . . 65.42 111.135 -176.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -114.56 136.77 52.67 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.416 0.686 . . . . 74.52 110.548 -175.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 C-N-CA 123.791 0.836 . . . . 43.41 109.268 173.425 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.119 -0.326 . . . . 74.14 110.119 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -76.85 152.92 35.26 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.239 0.616 . . . . 74.32 110.324 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.51 19.09 8.89 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 124.242 1.017 . . . . 73.24 111.891 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -132.17 89.03 2.61 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 108.44 -0.948 . . . . 73.0 108.44 -173.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt 66.23 16.04 10.3 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.85 1.26 . . . . 75.43 111.525 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.4 p -80.68 -20.11 43.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.46 1.104 . . . . 72.32 110.271 173.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.51 165.41 24.94 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 124.62 1.168 . . . . 64.51 108.846 176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.7 mt -78.76 157.98 28.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.424 0.631 . . . . 74.15 111.356 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.0 116.32 20.9 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 124.529 1.132 . . . . 73.25 109.175 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.517 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 27.6 t70 -68.39 -35.16 77.27 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.07 0.948 . . . . 71.23 111.125 -174.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.05 -24.45 64.17 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.548 0.739 . . . . 51.13 111.438 175.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -86.04 -34.24 20.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.054 0.542 . . . . 75.05 110.979 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.517 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -84.86 -34.01 22.71 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 111.605 0.224 . . . . 73.13 111.605 -177.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -91.09 -50.8 5.65 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.685 0.394 . . . . 73.2 111.183 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.7 m -104.3 -3.59 24.02 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.125 0.57 . . . . 71.12 112.396 -170.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 69.38 -66.4 0.26 Allowed 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 125.55 1.54 . . . . 51.55 112.245 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.59 113.34 6.02 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 122.865 0.466 . . . . 63.44 110.147 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 51.0 t -70.22 140.12 52.4 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.398 0.679 . . . . 52.14 110.749 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.5 m -65.22 -50.2 66.75 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.915 0.886 . . . . 51.22 111.763 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -83.79 -18.78 36.55 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.176 0.591 . . . . 72.45 111.155 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.08 -119.32 6.71 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.418 0.449 . . . . 71.12 112.204 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -76.81 -17.87 58.75 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.297 0.639 . . . . 74.33 111.184 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -83.15 6.7 18.35 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.583 0.753 . . . . 62.41 111.572 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 44.8 t -67.72 133.39 49.2 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.731 0.813 . . . . 55.13 110.899 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -92.8 10.64 30.06 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.581 0.753 . . . . 72.41 111.632 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -132.36 146.02 51.67 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.402 0.681 . . . . 60.35 110.274 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.7 138.18 57.8 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.626 1.171 . . . . 60.53 113.338 -168.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -97.67 27.94 4.1 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.57 0.748 . . . . 74.25 110.468 176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.54 -178.44 24.21 Favored Glycine 0 C--N 1.341 0.807 0 CA-C-N 115.759 -0.655 . . . . 70.11 111.533 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.47 ' HA ' ' HB3' ' A' ' 128' ' ' LEU . 12.8 p -69.39 -22.36 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.449 0.7 . . . . 73.32 111.963 -175.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -62.94 -37.75 88.31 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.516 0.726 . . . . 61.44 111.498 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -94.9 -22.09 18.22 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.378 0.671 . . . . 53.54 111.191 175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.47 ' HB3' ' HA ' ' A' ' 125' ' ' VAL . 48.9 tp -72.31 110.06 6.48 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.044 0.449 . . . . 72.1 111.381 -171.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.79 88.23 2.89 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 106.6 -1.63 . . . . 62.51 106.6 165.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.17 155.71 54.34 Favored Pre-proline 0 CA--C 1.554 1.132 0 C-N-CA 124.201 1.001 . . . . 70.34 111.656 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.91 113.79 1.33 Allowed 'Trans proline' 0 C--N 1.385 2.497 0 C-N-CA 123.071 2.514 . . . . 53.21 112.621 178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 47.0 mtm -113.97 132.83 55.83 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.292 1.037 . . . . 65.44 109.786 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -71.29 149.09 94.03 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.864 0.866 . . . . 64.13 110.396 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.92 128.39 25.32 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.829 2.353 . . . . 73.43 111.898 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -74.05 99.3 3.29 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.566 0.746 . . . . 75.01 110.448 -176.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.87 111.84 0.9 Allowed Glycine 0 C--N 1.344 1.01 0 CA-C-N 115.726 -0.67 . . . . 50.32 111.864 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -86.74 152.54 22.43 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.126 0.488 . . . . 73.45 110.635 177.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -118.3 95.14 4.75 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 107.728 -1.212 . . . . 64.34 107.728 171.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -147.41 85.32 6.81 Favored Pre-proline 0 CA--C 1.55 0.947 0 C-N-CA 123.48 0.712 . . . . 52.41 109.735 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -85.74 -4.45 9.04 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 122.928 2.418 . . . . 73.15 112.63 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' A' ' 144' ' ' THR . 87.6 tttt -75.46 101.14 4.72 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.097 0.959 . . . . 62.13 110.087 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -79.4 -48.78 13.41 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.921 0.488 . . . . 74.14 110.251 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -77.27 97.81 4.96 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.022 -1.103 . . . . 73.52 108.022 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.474 ' HA ' ' HE2' ' A' ' 141' ' ' LYS . 40.8 p -96.86 -65.04 0.99 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.138 0.575 . . . . 64.31 112.414 -169.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.3 t -94.92 152.34 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.808 0.843 . . . . 65.34 109.511 -176.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.07 135.82 51.39 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.879 0.472 . . . . 63.03 109.941 175.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 41.8 t -75.22 113.65 12.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.484 0.714 . . . . 54.54 109.973 -174.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.23 -37.12 85.98 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.84 0.856 . . . . 73.2 110.851 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -65.11 -44.21 89.51 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.378 -0.828 . . . . 73.55 110.725 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -76.16 -23.25 54.76 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 115.684 -0.689 . . . . 75.23 110.666 -177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.49 ' HA ' ' HB ' ' A' ' 169' ' ' VAL . 49.7 m -84.37 -39.66 18.81 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.105 0.562 . . . . 65.23 112.156 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 67.2 mtm -90.86 -53.4 4.41 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 122.967 0.507 . . . . 75.45 111.717 -173.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 37.7 p -97.62 -18.82 18.68 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 122.556 0.342 . . . . 70.01 110.706 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 82.22 5.74 89.38 Favored Glycine 0 C--N 1.351 1.361 0 CA-C-N 116.1 -0.5 . . . . 33.14 113.357 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -137.62 133.59 34.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.861 0.865 . . . . 73.4 109.509 -174.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 36.6 t -119.12 127.41 53.33 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.266 1.026 . . . . 74.23 108.256 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -61.3 -32.8 72.65 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 123.653 0.781 . . . . 70.22 112.727 -171.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . 0.535 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 66.1 m-85 -83.29 -28.52 29.05 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.21 0.604 . . . . 64.44 110.823 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.44 -110.47 3.51 Favored Glycine 0 C--N 1.35 1.339 0 O-C-N 123.706 0.629 . . . . 60.35 112.361 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 76.8 p -71.31 -20.98 62.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.671 0.788 . . . . 73.13 111.328 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.535 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 84.6 mtt180 -82.48 -5.52 58.75 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.86 0.864 . . . . 65.3 111.851 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 53.5 t -66.97 130.29 42.65 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.553 0.741 . . . . 74.44 110.31 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -86.71 5.0 38.37 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.74 0.816 . . . . 73.4 111.336 -178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -111.86 149.74 31.39 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.011 0.924 . . . . 74.42 110.695 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 42.1 mt -62.15 121.34 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.722 1.209 . . . . 74.34 111.531 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -94.31 94.92 8.57 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.008 0.523 . . . . 73.53 109.742 171.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -96.55 140.14 31.61 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 108.262 -1.014 . . . . 74.44 108.262 169.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 48.9 mm -68.25 94.71 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.509 -0.552 . . . . 73.52 109.509 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.49 ' HB ' ' HA ' ' A' ' 151' ' ' SER . 59.2 t -118.67 109.35 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.066 0.946 . . . . 62.14 109.567 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -82.1 -32.55 30.16 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.8 0.84 . . . . 64.1 109.479 174.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -177.54 -167.39 35.69 Favored Glycine 0 C--N 1.344 0.997 0 CA-C-N 115.133 -0.939 . . . . 64.43 111.836 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -103.98 148.01 26.7 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.36 0.664 . . . . 72.03 109.972 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 C-N-CA 123.596 0.759 . . . . 72.23 109.146 -178.824 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.024 -0.361 . . . . 52.32 110.024 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -85.18 150.53 24.75 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.409 0.684 . . . . 71.21 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -102.23 87.54 3.08 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.415 0.686 . . . . 73.13 110.556 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -127.51 108.62 10.96 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 107.375 -1.343 . . . . 61.5 107.375 174.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.492 ' HD2' ' HB3' ' A' ' 127' ' ' GLU . 9.7 mtmp? 61.4 24.21 14.35 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.461 1.105 . . . . 73.22 111.7 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.6 p -77.4 -19.82 55.59 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.074 0.949 . . . . 74.1 110.473 173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.17 167.1 22.83 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.838 1.255 . . . . 62.02 108.667 177.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.7 mt -78.65 147.55 33.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.014 0.526 . . . . 74.15 110.587 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 29.0 t -63.08 128.35 35.45 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.476 1.11 . . . . 52.4 109.943 174.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.37 -47.97 82.11 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.657 0.783 . . . . 73.52 111.525 -174.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.14 -23.9 64.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.346 0.658 . . . . 75.44 111.722 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -76.49 -42.8 42.2 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.083 0.553 . . . . 74.13 110.71 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -77.65 -27.46 51.01 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 111.6 0.222 . . . . 71.34 111.6 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -93.19 -47.78 6.78 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 111.994 0.368 . . . . 74.55 111.994 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.4 t -113.69 -17.73 12.05 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.205 0.602 . . . . 65.13 112.264 -167.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 59.41 28.69 18.12 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 124.236 1.014 . . . . 70.35 110.93 -171.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -141.45 101.81 4.07 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.029 0.932 . . . . 65.13 109.457 -176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.8 t -113.23 126.95 55.98 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.406 1.083 . . . . 74.03 109.737 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.5 t -69.08 -34.01 74.44 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.025 0.93 . . . . 62.31 111.836 -175.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -74.4 -38.2 63.18 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.899 0.48 . . . . 64.12 110.944 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 63.68 -103.02 0.62 Allowed Glycine 0 C--N 1.347 1.155 0 O-C-N 123.715 0.635 . . . . 74.41 112.986 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.21 -29.75 65.53 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.559 0.744 . . . . 72.31 110.939 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -87.99 11.75 15.12 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.984 0.914 . . . . 74.4 111.954 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 36.7 t -77.59 127.56 32.69 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.716 0.807 . . . . 73.33 110.153 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -70.02 -26.1 63.89 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.075 0.55 . . . . 71.21 111.714 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -105.0 160.24 15.19 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.312 0.645 . . . . 74.0 111.457 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.91 139.63 48.86 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 114.413 -1.267 . . . . 71.22 113.381 -166.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -105.82 30.85 5.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.331 1.052 . . . . 74.05 109.979 171.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.0 163.14 26.28 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-N 116.097 -0.501 . . . . 65.4 112.659 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.14 -26.95 39.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 C-N-CA 123.912 0.885 . . . . 73.11 111.309 178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -74.45 -26.84 60.3 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.941 0.896 . . . . 73.15 110.97 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.492 ' HB3' ' HD2' ' A' ' 100' ' ' LYS . 54.7 mt-10 -83.75 -19.69 34.69 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.71 0.804 . . . . 73.32 111.857 179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 53.8 mt -66.47 115.7 6.66 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.312 0.645 . . . . 75.0 112.117 -176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -112.98 98.66 7.31 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 106.524 -1.658 . . . . 64.11 106.524 163.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.6 pp -56.79 153.09 23.76 Favored Pre-proline 0 CA--C 1.555 1.149 0 O-C-N 124.013 0.82 . . . . 75.34 111.318 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -58.43 92.0 0.07 OUTLIER 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.683 2.255 . . . . 75.23 112.356 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 33.1 mtm -78.41 96.44 5.36 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.187 0.995 . . . . 75.43 109.908 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -155.78 156.04 30.16 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 115.153 -0.93 . . . . 73.21 109.377 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.37 144.2 99.5 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.36 2.04 . . . . 61.3 111.666 171.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -67.27 -29.74 69.43 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.989 0.515 . . . . 72.31 110.767 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -89.53 61.95 3.48 Favored Glycine 0 C--N 1.345 1.062 0 CA-C-N 115.586 -0.734 . . . . 74.45 112.348 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -64.54 -62.95 1.27 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.263 0.625 . . . . 52.12 109.412 173.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -88.68 84.11 6.72 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 107.854 -1.165 . . . . 65.42 107.854 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -73.38 113.96 27.12 Favored Pre-proline 0 CA--C 1.553 1.093 0 CA-C-N 115.183 -0.917 . . . . 65.32 109.832 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -80.89 -14.51 11.08 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.787 2.325 . . . . 44.11 113.244 -176.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' A' ' 144' ' ' THR . 86.9 tttt -85.54 85.02 7.45 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.639 0.776 . . . . 73.53 109.938 -177.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -73.96 -42.39 60.59 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.209 -0.905 . . . . 70.12 109.246 173.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -77.39 97.47 4.94 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 114.783 -1.098 . . . . 62.23 108.65 176.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.512 ' HA ' ' HE2' ' A' ' 141' ' ' LYS . 73.4 p -102.91 -43.51 5.51 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.901 0.481 . . . . 74.34 110.587 -178.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 64.8 t -82.83 146.72 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.397 0.679 . . . . 70.52 109.967 176.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 61.6 mt -72.23 159.95 33.23 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.769 0.828 . . . . 44.22 111.21 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 38.5 t -89.32 114.57 25.98 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.484 0.714 . . . . 65.52 109.922 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -75.35 -44.24 46.16 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.343 0.657 . . . . 74.15 110.469 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -55.47 -40.27 71.44 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.966 0.907 . . . . 71.01 112.075 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -69.78 -44.59 69.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.303 0.641 . . . . 70.12 110.432 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.4 m -69.19 -36.35 77.22 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 115.898 -0.592 . . . . 65.3 112.089 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 61.8 mtm -71.45 -48.85 46.81 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.158 0.429 . . . . 70.01 112.158 -176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 67.3 p -97.14 -43.51 7.35 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.747 0.419 . . . . 53.53 111.167 -170.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.548 ' HA2' HG21 ' A' ' 169' ' ' VAL . . . 134.56 -35.6 2.19 Favored Glycine 0 C--N 1.341 0.855 0 N-CA-C 111.233 -0.747 . . . . 73.15 111.233 -174.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -136.09 142.5 44.32 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.08 0.952 . . . . 44.33 109.477 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 45.1 t -85.58 123.28 30.81 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.601 0.761 . . . . 73.0 109.795 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -64.11 -24.62 67.76 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.681 0.792 . . . . 75.14 112.212 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -73.97 -38.23 64.24 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.438 0.695 . . . . 75.2 110.282 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.11 -117.1 9.21 Favored Glycine 0 C--N 1.352 1.418 0 CA-C-N 115.747 -0.661 . . . . 61.42 112.785 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 58.0 p -76.92 -11.14 59.77 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.153 0.581 . . . . 71.35 111.464 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -93.37 7.44 44.45 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.714 0.805 . . . . 75.31 111.289 174.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 52.3 t -83.5 125.63 31.95 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.335 0.654 . . . . 71.01 109.857 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -91.38 16.33 10.37 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.605 0.762 . . . . 65.51 111.185 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -124.53 148.61 47.66 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.708 0.803 . . . . 64.41 110.64 -175.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 60.3 mt -63.74 120.63 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.506 1.122 . . . . 72.4 111.503 -175.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -83.59 95.07 8.22 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.725 -0.472 . . . . 75.24 109.725 173.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -86.29 134.19 33.76 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.069 -0.715 . . . . 63.13 109.069 171.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 51.4 mm -65.44 128.82 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 O-C-N 123.675 0.609 . . . . 71.12 109.407 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.548 HG21 ' HA2' ' A' ' 154' ' ' GLY . 61.3 t -58.16 109.47 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 O-C-N 124.257 0.973 . . . . 64.51 111.207 -170.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -115.1 -54.26 2.57 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.242 1.417 . . . . 73.24 109.374 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 148.09 -41.93 0.88 Allowed Glycine 0 C--N 1.341 0.86 0 CA-C-N 114.938 -1.028 . . . . 74.43 110.66 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -79.35 110.74 14.92 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.289 -0.634 . . . . 74.23 109.289 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 C-N-CA 123.833 0.853 . . . . 64.35 108.804 179.597 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.785 -0.45 . . . . 74.12 109.785 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.82 150.85 27.65 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.136 0.574 . . . . 74.05 110.231 174.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.48 -20.41 62.86 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.72 0.808 . . . . 31.43 110.888 172.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HB3' ' HG3' ' A' ' 100' ' ' LYS . 3.1 m-85 -67.29 147.38 53.06 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 123.902 0.881 . . . . 72.31 110.528 169.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.454 ' HG3' ' HB3' ' A' ' 99' ' ' PHE . 94.5 mttt 68.57 35.59 3.14 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 113.949 -1.478 . . . . 65.3 112.066 162.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.9 p -84.06 -5.34 59.22 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 115.206 -0.906 . . . . 64.11 111.387 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -144.29 155.99 44.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.542 1.137 . . . . 73.44 108.822 173.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.56 150.13 43.41 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.706 0.802 . . . . 75.24 112.7 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 40.5 t -80.8 122.47 27.21 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.292 -1.322 . . . . 73.05 109.374 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.433 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 31.3 t70 -65.19 -40.61 94.47 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.746 0.654 . . . . 53.35 110.226 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.3 -26.57 67.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.501 0.72 . . . . 54.44 111.992 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -77.33 -50.97 11.67 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.735 0.414 . . . . 61.33 110.31 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.433 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 14.0 ptmm? -76.41 -17.88 59.12 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.577 0.584 . . . . 75.33 112.577 -170.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -93.33 -39.99 10.65 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.946 0.498 . . . . 60.55 112.188 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.1 t -111.51 -9.04 14.22 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 113.095 0.776 . . . . 51.04 113.095 -168.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 65.86 -72.06 0.08 Allowed 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 125.233 1.413 . . . . 73.14 110.284 -169.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.18 95.53 3.71 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.161 0.584 . . . . 75.33 109.778 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 41.4 t -76.81 125.01 28.56 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.9 -0.778 . . . . 63.11 108.9 175.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.4 p -70.09 -26.69 64.11 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.076 0.951 . . . . 64.45 112.39 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.633 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 26.1 m-85 -67.94 -44.56 76.53 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.085 0.954 . . . . 64.04 110.19 -178.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.62 -111.6 4.26 Favored Glycine 0 C--N 1.348 1.241 0 CA-C-N 115.774 -0.648 . . . . 73.01 112.912 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -79.05 -10.28 59.78 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.449 0.699 . . . . 64.22 111.414 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -79.45 -6.02 56.0 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.359 0.663 . . . . 65.43 111.476 175.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 48.5 m -75.17 132.88 41.47 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.442 0.639 . . . . 72.2 111.394 174.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.408 ' H ' ' HD3' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -101.82 5.75 41.26 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.72 1.208 . . . . 65.34 108.975 170.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -116.74 158.76 23.33 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.044 1.338 . . . . 74.33 109.027 172.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.17 134.68 34.56 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.119 0.968 . . . . 72.2 113.438 -164.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -95.24 32.3 1.76 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.509 0.723 . . . . 71.35 111.006 173.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 153.17 177.11 26.39 Favored Glycine 0 C--N 1.343 0.939 0 CA-C-N 116.46 -0.337 . . . . 64.21 112.431 176.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.428 ' HA ' HD12 ' A' ' 128' ' ' LEU . 12.6 p -69.14 -27.69 36.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.644 0.778 . . . . 60.34 111.256 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -70.7 -30.6 67.2 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.776 0.831 . . . . 74.05 110.702 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -81.93 -24.41 35.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.561 0.744 . . . . 61.34 111.025 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 125' ' ' VAL . 26.5 mt -65.92 119.94 12.2 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.413 0.685 . . . . 74.5 112.315 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.61 134.11 44.06 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 108.463 -0.94 . . . . 75.03 108.463 166.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.9 pp -73.59 149.82 88.63 Favored Pre-proline 0 CA--C 1.555 1.154 0 CA-C-O 119.037 -0.506 . . . . 73.22 109.882 173.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -53.9 148.93 35.94 Favored 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 123.188 2.592 . . . . 61.3 113.746 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 132' ' ' MET . 0.6 OUTLIER -83.49 82.6 8.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.728 0.811 . . . . 75.21 110.184 -174.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -91.82 158.63 39.68 Favored Pre-proline 0 C--O 1.245 0.819 0 CA-C-N 114.653 -1.158 . . . . 73.43 108.938 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.22 134.26 55.88 Favored 'Trans proline' 0 C--N 1.383 2.369 0 C-N-CA 122.69 2.26 . . . . 63.21 112.138 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -77.52 -11.08 59.82 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.179 0.592 . . . . 72.24 111.297 -176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.69 37.99 3.51 Favored Glycine 0 C--N 1.351 1.379 0 CA-C-O 120.028 -0.318 . . . . 33.25 113.012 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -73.41 88.34 1.58 Allowed 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.525 -0.546 . . . . 61.32 109.525 174.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -174.53 174.47 2.72 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.242 1.417 . . . . 72.32 107.407 -175.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 16.1 p80 -67.92 143.25 96.19 Favored Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 109.47 -0.567 . . . . 74.44 109.47 169.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.83 108.04 0.6 Allowed 'Trans proline' 0 C--N 1.379 2.17 0 C-N-CA 122.701 2.268 . . . . 72.51 111.841 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.476 ' HA ' HG23 ' A' ' 144' ' ' THR . 20.7 ptmt -137.91 5.86 2.62 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.422 0.689 . . . . 65.44 111.934 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -68.71 -27.9 66.35 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.817 0.447 . . . . 74.12 110.536 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -123.47 78.14 1.56 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.266 1.027 . . . . 72.02 108.459 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.476 HG23 ' HA ' ' A' ' 141' ' ' LYS . 14.7 p -127.85 -8.69 5.52 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 115.334 -0.848 . . . . 53.44 111.212 174.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 39.7 t -93.96 143.45 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 108.862 -0.792 . . . . 62.44 108.862 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.13 157.58 36.97 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.146 0.578 . . . . 62.21 111.331 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 150' ' ' PHE . 28.1 t -82.12 116.71 21.82 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 123.606 0.762 . . . . 60.31 110.108 -175.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -57.97 -47.72 82.13 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.208 1.003 . . . . 71.01 110.813 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -58.08 -48.6 79.66 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.254 -0.884 . . . . 75.41 110.835 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.405 ' HB3' ' HB3' ' A' ' 147' ' ' CYS . 37.7 t80 -74.5 -25.25 59.24 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 115.1 -0.955 . . . . 74.33 111.247 -172.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 77.9 p -87.2 -35.88 18.31 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.749 0.42 . . . . 52.54 111.641 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 66.4 mtm -82.63 -49.03 10.27 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 122.839 0.456 . . . . 63.1 111.765 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 27.1 p -97.23 -38.37 9.72 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 121.016 0.436 . . . . 74.21 110.268 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 115.47 -15.21 17.66 Favored Glycine 0 C--N 1.348 1.233 0 CA-C-N 115.673 -0.694 . . . . 65.32 112.516 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -133.73 146.56 50.89 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.878 0.871 . . . . 64.31 109.477 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 50.4 t -120.45 121.4 38.42 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.892 0.877 . . . . 64.33 109.182 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -70.51 -17.06 62.95 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.774 0.829 . . . . 74.21 111.927 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -73.45 -20.86 60.6 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.294 1.038 . . . . 61.32 111.085 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.26 -131.42 41.91 Favored Glycine 0 C--N 1.353 1.503 0 O-C-N 123.998 0.811 . . . . 55.34 113.575 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 71.1 p -71.34 -22.8 61.86 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.963 0.905 . . . . 73.15 111.99 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -92.35 9.73 32.84 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.363 0.665 . . . . 73.22 112.071 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 42.4 t -65.33 128.6 36.52 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.795 0.838 . . . . 75.21 111.058 174.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -83.7 3.8 31.49 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 124.124 0.97 . . . . 55.55 112.196 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.85 149.14 40.52 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.073 0.949 . . . . 72.34 109.687 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.425 HD11 ' HA ' ' A' ' 144' ' ' THR . 31.9 mt -71.54 128.08 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 123.807 0.843 . . . . 64.43 110.918 -176.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -90.84 95.0 9.91 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.366 0.667 . . . . 70.2 110.078 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.422 ' HG3' HG22 ' A' ' 165' ' ' ILE . 68.2 mttm -118.3 132.18 56.3 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.692 0.797 . . . . 73.15 109.314 171.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 58.8 mt -75.58 106.45 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 N-CA-C 108.727 -0.842 . . . . 74.42 108.727 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 38.6 t -73.71 117.65 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 N-CA-C 109.073 -0.714 . . . . 74.5 109.073 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -68.58 122.94 19.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.278 0.631 . . . . 75.35 111.615 -174.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -77.7 144.71 29.33 Favored Glycine 0 C--N 1.343 0.95 0 N-CA-C 111.495 -0.642 . . . . 61.13 111.495 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 64.5 t30 66.18 16.39 10.42 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 124.599 1.16 . . . . 73.11 111.231 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.131 0 C-N-CA 123.57 0.748 . . . . 74.44 110.77 -179.678 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.782 -0.451 . . . . 54.0 109.782 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -87.04 170.58 11.42 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.629 0.772 . . . . 74.43 111.463 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.52 -4.97 20.63 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.821 0.848 . . . . 52.32 110.675 171.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -89.9 133.54 34.71 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 108.78 -0.822 . . . . 74.22 108.78 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.412 ' HG3' ' HG2' ' A' ' 129' ' ' ARG . 17.0 ptpt 56.67 21.1 5.54 Favored 'General case' 0 N--CA 1.5 2.038 0 C-N-CA 127.021 2.128 . . . . 74.25 113.451 176.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.2 p -89.4 -3.26 58.5 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.688 0.795 . . . . 74.54 112.08 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.12 159.39 40.24 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.063 0.945 . . . . 70.41 109.256 173.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.5 mt -82.67 135.79 34.93 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.917 0.487 . . . . 71.02 110.898 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.39 112.83 6.19 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.435 1.094 . . . . 73.01 110.304 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -61.6 -39.47 91.34 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.733 0.813 . . . . 72.11 110.805 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.73 -36.62 79.3 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.908 0.883 . . . . 72.25 111.753 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -68.36 -40.93 81.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.012 0.525 . . . . 75.25 110.391 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -75.54 -28.97 59.27 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.157 -0.474 . . . . 70.4 111.99 -174.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -93.22 -43.6 8.75 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 122.99 0.516 . . . . 65.42 112.013 -177.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.1 t -113.48 -5.48 13.48 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.515 0.726 . . . . 54.23 112.591 -166.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 71.6 -62.04 0.47 Allowed 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 125.181 1.392 . . . . 72.5 110.189 -169.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.68 142.64 48.25 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.484 0.714 . . . . 72.11 111.083 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.2 t -107.63 130.84 54.87 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.481 1.112 . . . . 72.32 108.406 175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.0 m -66.58 -31.79 72.72 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.124 0.57 . . . . 53.24 111.467 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -81.55 -33.45 31.72 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.274 0.63 . . . . 70.52 110.892 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.33 -109.26 2.8 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.744 0.653 . . . . 52.13 112.661 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -79.02 -19.54 51.26 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.255 0.622 . . . . 75.41 111.663 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -90.77 12.32 19.59 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.368 0.667 . . . . 74.32 111.408 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 42.2 t -77.62 124.61 28.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.45 0.7 . . . . 72.15 109.375 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.428 ' HD2' ' H ' ' A' ' 120' ' ' ARG . 0.1 OUTLIER -87.41 14.91 7.19 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 123.034 0.533 . . . . 71.15 111.601 -178.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -128.51 144.98 51.24 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.076 0.95 . . . . 72.24 109.476 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.12 141.36 54.69 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.454 1.102 . . . . 53.12 112.611 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -97.69 39.68 1.2 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.844 0.857 . . . . 62.55 110.451 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 150.86 165.47 12.81 Favored Glycine 0 C--N 1.344 0.991 0 CA-C-N 115.238 -0.892 . . . . 72.02 111.779 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.5 p -68.28 -22.15 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.045 0 C-N-CA 123.671 0.788 . . . . 61.12 110.903 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -71.31 -39.65 71.29 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.021 0.928 . . . . 73.03 110.661 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -84.13 -18.41 36.88 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.839 0.856 . . . . 74.24 110.329 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.8 tp -67.22 129.63 40.5 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 123.655 0.782 . . . . 34.45 111.297 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.412 ' HG2' ' HG3' ' A' ' 100' ' ' LYS . 34.3 mmt-85 -107.28 84.77 2.02 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 107.049 -1.463 . . . . 61.24 107.049 169.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -57.85 131.57 82.94 Favored Pre-proline 0 CA--C 1.554 1.106 0 O-C-N 123.473 0.483 . . . . 72.22 111.469 -171.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.41 131.56 26.76 Favored 'Trans proline' 0 C--N 1.376 2.021 0 C-N-CA 122.619 2.212 . . . . 64.31 111.108 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.5 mmt -77.17 108.63 10.41 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.414 0.686 . . . . 71.12 109.557 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -64.89 149.6 96.16 Favored Pre-proline 0 CA--C 1.552 1.054 0 C-N-CA 124.063 0.945 . . . . 73.21 110.746 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -53.18 116.91 3.25 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.991 2.461 . . . . 61.52 112.382 173.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -70.02 -39.97 75.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.384 0.673 . . . . 75.31 110.999 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 68.09 -82.14 0.18 Allowed Glycine 0 C--N 1.352 1.454 0 O-C-N 123.474 0.484 . . . . 60.43 112.69 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -155.13 78.34 1.03 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.578 0.751 . . . . 71.23 109.635 177.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -77.99 97.4 5.34 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.874 -1.158 . . . . 62.23 107.874 168.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -104.53 100.07 20.96 Favored Pre-proline 0 CA--C 1.546 0.824 0 C-N-CA 123.939 0.896 . . . . 74.01 109.863 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -89.13 5.5 4.91 Favored 'Trans proline' 0 C--N 1.376 1.975 0 C-N-CA 123.021 2.481 . . . . 62.3 112.696 174.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.52 ' HD2' ' HB ' ' A' ' 144' ' ' THR . 2.2 tmtm? 59.7 67.78 0.85 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.82 1.248 . . . . 74.12 109.623 -174.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -66.99 -55.67 13.47 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.875 -1.057 . . . . 74.35 110.759 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.425 ' HG2' HG12 ' A' ' 165' ' ' ILE . 23.0 ttmm -79.62 78.59 6.16 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.703 0.763 . . . . 52.21 109.207 -174.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.52 ' HB ' ' HD2' ' A' ' 141' ' ' LYS . 13.1 t -128.94 -24.98 2.85 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.837 1.255 . . . . 60.32 109.739 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 60.3 t -79.4 150.52 5.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.02 0.928 . . . . 51.51 109.418 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 97.4 mt -80.39 149.53 30.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.423 0.689 . . . . 75.23 110.676 176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 40.9 t -72.79 117.16 14.15 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.943 0.897 . . . . 41.24 110.352 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.05 -52.48 65.55 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.151 0.981 . . . . 71.25 110.847 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -58.03 -31.8 67.36 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.77 0.828 . . . . 73.23 111.688 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -79.5 -46.69 16.93 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.175 0.59 . . . . 51.02 110.596 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.1 p -73.92 -32.5 63.56 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.162 0.585 . . . . 52.35 112.304 -171.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.5 mtm -77.33 -40.97 42.27 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.995 0.518 . . . . 61.05 111.966 -176.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 65.2 p -105.71 -42.82 5.07 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 122.547 0.339 . . . . 73.42 111.835 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 137.55 -34.54 2.16 Favored Glycine 0 C--N 1.345 1.032 0 CA-C-N 116.241 -0.436 . . . . 61.31 112.21 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -135.83 149.39 49.04 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.737 0.815 . . . . 53.1 110.461 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 5.7 t -122.11 121.85 37.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.515 1.126 . . . . 41.3 109.09 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -67.92 -18.17 64.69 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.803 0.841 . . . . 75.23 112.771 -173.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -68.01 -37.35 81.31 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.801 0.841 . . . . 64.12 111.205 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.38 -116.2 8.51 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.518 0.511 . . . . 34.33 113.402 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.4 t -77.58 -14.3 59.69 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.413 0.685 . . . . 63.04 111.205 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -87.58 0.17 56.0 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.661 0.784 . . . . 74.31 111.25 176.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 21.6 t -75.68 134.25 40.6 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 122.791 0.436 . . . . 72.43 110.928 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -74.02 -26.07 60.22 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.999 0.92 . . . . 62.42 112.408 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -121.8 151.34 40.7 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.483 0.713 . . . . 64.5 111.115 -175.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.425 HG12 ' HG2' ' A' ' 143' ' ' LYS . 23.9 mt -61.42 136.34 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 C-N-CA 124.691 1.196 . . . . 64.44 112.627 -168.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -95.6 94.83 7.98 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.547 0.739 . . . . 53.3 110.065 173.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -105.82 134.56 48.74 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 107.694 -1.224 . . . . 70.11 107.694 169.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 46.6 mm -65.59 132.71 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 O-C-N 123.695 0.622 . . . . 73.23 110.792 -167.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 74.0 t -59.83 118.67 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 C-N-CA 124.26 1.024 . . . . 52.52 110.778 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -138.46 122.98 18.48 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.764 0.826 . . . . 74.52 108.798 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -175.21 -55.87 0.06 OUTLIER Glycine 0 C--N 1.337 0.625 0 N-CA-C 110.773 -0.931 . . . . 65.42 110.773 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -129.4 88.45 2.69 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 108.522 -0.918 . . . . 75.12 108.522 175.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 C-N-CA 123.494 0.718 . . . . 43.41 110.297 -178.389 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 111.875 0.324 . . . . 61.44 111.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -67.35 139.76 57.22 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.357 0.663 . . . . 64.21 110.926 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.89 146.03 26.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.849 0.86 . . . . 73.13 109.56 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -81.28 131.32 35.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.417 0.687 . . . . 61.23 109.837 -173.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt 50.18 62.26 2.76 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 126.456 1.903 . . . . 63.52 113.733 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.0 p -82.63 -10.29 59.01 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 114.285 -1.325 . . . . 71.22 112.039 176.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.33 166.36 26.53 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.943 0.897 . . . . 54.43 109.712 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.2 mt -75.79 148.44 38.46 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.284 0.564 . . . . 64.53 110.829 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.2 t -75.09 112.95 11.87 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.771 1.228 . . . . 33.01 110.033 -175.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.24 -34.76 78.36 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.796 0.838 . . . . 72.05 111.642 -179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.87 89.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.339 0.656 . . . . 64.3 110.39 174.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -73.89 -33.99 64.23 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.887 -1.052 . . . . 72.21 111.346 177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -76.05 -31.03 58.62 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 122.145 -0.347 . . . . 62.05 111.591 -177.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -85.39 -50.43 7.31 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.798 0.439 . . . . 74.52 110.904 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.2 m -97.22 -4.78 38.36 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.684 0.624 . . . . 75.22 112.684 -171.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 68.98 9.75 7.57 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 124.685 1.194 . . . . 75.31 112.254 -176.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -163.12 144.5 9.71 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.307 1.043 . . . . 71.04 109.549 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 19.2 t -121.09 129.46 53.33 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.103 0.961 . . . . 60.23 109.677 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.6 p -74.46 -21.86 59.39 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.034 0.934 . . . . 75.3 112.126 -176.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -70.94 -26.39 63.16 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.629 0.771 . . . . 62.41 111.099 -176.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.34 -128.39 33.21 Favored Glycine 0 C--N 1.355 1.624 0 O-C-N 123.5 0.5 . . . . 74.35 113.209 175.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -77.4 -15.14 59.51 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.023 0.529 . . . . 62.1 111.559 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -82.57 -0.59 47.58 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.239 0.616 . . . . 45.02 111.023 174.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.98 127.27 32.05 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 123.3 0.64 . . . . 62.02 110.106 175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -80.0 3.82 18.95 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.374 0.67 . . . . 74.12 112.032 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -130.88 152.65 49.98 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.867 0.867 . . . . 72.35 110.31 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 127' ' ' GLU . . . -77.78 139.82 39.38 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.543 1.137 . . . . 55.32 112.825 -167.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -98.88 28.51 4.29 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 123.779 0.832 . . . . 74.5 110.261 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 173.24 149.94 7.16 Favored Glycine 0 C--N 1.339 0.704 0 N-CA-C 110.974 -0.85 . . . . 74.14 110.974 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 p -63.86 -24.75 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.56 0.744 . . . . 74.14 111.242 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -68.37 -32.16 72.05 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.093 0.957 . . . . 75.41 111.294 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.457 ' HB2' ' HB1' ' A' ' 122' ' ' ALA . 43.7 mt-10 -83.9 -9.01 59.04 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.08 0.552 . . . . 71.11 112.397 -177.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.4 mt -62.23 111.64 2.06 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.132 0.491 . . . . 54.41 111.845 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -105.26 81.04 1.66 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 106.638 -1.615 . . . . 73.4 106.638 173.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.3 151.65 47.13 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 123.697 0.799 . . . . 71.32 111.253 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.62 99.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.385 2.457 0 C-N-CA 122.928 2.419 . . . . 74.42 112.959 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 48.4 mtm -114.04 104.78 12.48 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.519 1.128 . . . . 71.13 109.377 178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.427 ' ND2' ' HB3' ' A' ' 137' ' ' ARG . 4.3 t30 -81.23 131.1 60.03 Favored Pre-proline 0 CA--C 1.546 0.824 0 N-CA-C 108.287 -1.005 . . . . 64.45 108.287 173.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.64 -171.72 0.49 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.361 2.041 . . . . 53.1 112.711 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -72.27 92.35 1.38 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.869 0.468 . . . . 72.53 109.97 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 158.01 74.75 0.02 OUTLIER Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.249 -0.887 . . . . 44.34 111.156 -178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.427 ' HB3' ' ND2' ' A' ' 133' ' ' ASN . 15.5 ptm180 -152.15 140.59 20.61 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.63 0.772 . . . . 74.12 110.199 177.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.7 t30 58.44 73.62 0.47 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.728 1.211 . . . . 44.43 110.624 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -165.48 153.25 9.84 Favored Pre-proline 0 N--CA 1.479 1.014 0 CA-C-N 115.211 -0.904 . . . . 72.42 109.763 -177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -77.73 96.81 1.11 Allowed 'Trans proline' 0 C--N 1.375 1.943 0 C-N-CA 122.497 2.131 . . . . 71.45 111.864 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -70.06 162.55 27.99 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 109.156 -0.683 . . . . 70.14 109.156 171.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -84.73 -60.65 2.0 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.057 -1.09 . . . . 73.43 108.057 169.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.596 ' HB3' HG12 ' A' ' 165' ' ' ILE . 34.5 mmtp -79.54 92.08 5.25 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.237 -0.892 . . . . 63.1 108.925 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 54.1 p -96.45 -71.5 0.67 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.926 0.891 . . . . 74.31 111.566 -171.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 38.4 t -116.5 153.04 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.48 1.112 . . . . 72.54 108.58 -174.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.99 139.83 58.38 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.905 0.482 . . . . 71.13 110.387 177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.4 t -72.84 111.47 8.0 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.179 -0.674 . . . . 71.13 109.179 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -72.8 -40.33 65.96 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.549 0.531 . . . . 63.05 111.342 -172.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -62.91 -42.2 99.7 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.04 0.536 . . . . 72.42 110.812 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.95 -26.22 64.02 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.405 -0.816 . . . . 71.2 111.426 -176.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 60.0 p -87.09 -35.49 18.66 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.749 0.42 . . . . 45.04 111.572 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 74.3 mtm -76.91 -43.79 34.2 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.877 0.471 . . . . 73.31 111.622 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 44.6 p -104.81 -29.3 10.62 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.98 0.512 . . . . 35.24 111.261 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 94.97 4.21 61.62 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.873 -0.603 . . . . 53.45 112.066 -171.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -136.7 139.74 42.17 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.97 0.908 . . . . 74.41 110.103 -173.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 51.7 t -122.23 125.16 45.47 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.104 0.962 . . . . 74.21 108.975 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -24.94 65.77 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.397 0.679 . . . . 73.41 112.385 -173.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -80.53 -31.13 37.14 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.166 0.586 . . . . 74.4 110.751 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.14 -112.88 5.37 Favored Glycine 0 C--N 1.35 1.318 0 O-C-N 123.654 0.596 . . . . 53.23 112.286 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.1 p -76.4 -16.23 59.76 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.357 0.663 . . . . 72.04 111.352 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.57 12.51 18.58 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.193 0.997 . . . . 64.41 111.252 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.9 t -85.12 126.91 34.0 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.241 0.616 . . . . 73.54 111.251 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -78.08 -29.1 48.92 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.641 0.776 . . . . 63.54 110.536 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -79.92 143.56 34.13 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.048 0.539 . . . . 75.34 111.043 -176.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.596 HG12 ' HB3' ' A' ' 143' ' ' LYS . 22.4 mt -70.19 109.11 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.637 1.175 . . . . 74.14 111.43 -169.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -73.6 107.67 6.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.043 0.537 . . . . 74.12 110.796 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -117.93 103.61 10.11 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 123.948 0.899 . . . . 61.14 108.828 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 64.9 mt -70.63 117.8 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 109.01 -0.737 . . . . 73.43 109.01 175.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 47.4 t -71.82 110.37 4.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 109.079 -0.711 . . . . 74.02 109.079 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -132.4 135.75 46.32 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.536 0.734 . . . . 62.23 110.278 -171.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -159.76 -73.19 0.02 OUTLIER Glycine 0 C--N 1.341 0.846 0 N-CA-C 110.613 -0.995 . . . . 73.33 110.613 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -158.55 50.69 0.39 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 122.063 0.935 . . . . 75.35 108.718 175.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.1 -0.954 . . . . 74.44 109.893 177.205 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.1 m . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 109.972 -0.381 . . . . 73.1 109.972 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -86.72 158.32 19.45 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.855 0.862 . . . . 64.51 110.262 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.78 86.75 0.96 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.246 0.618 . . . . 61.5 110.169 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -142.96 136.09 28.17 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.059 0.943 . . . . 72.24 111.11 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.576 ' HD3' ' HB3' ' A' ' 127' ' ' GLU . 15.8 ptpt 41.05 55.63 3.14 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.962 2.105 . . . . 72.32 115.573 167.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 47.4 p -83.37 -14.18 53.34 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 115.081 -0.963 . . . . 72.2 109.715 163.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.64 158.25 36.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.539 1.136 . . . . 65.42 110.223 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.57 158.5 32.4 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.891 0.876 . . . . 73.35 112.08 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 40.1 t -89.4 117.09 28.07 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.878 1.271 . . . . 71.2 110.257 -175.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -68.95 -34.78 75.89 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.978 0.511 . . . . 52.23 110.818 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.31 -32.79 72.65 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.451 0.7 . . . . 71.15 111.326 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -74.38 -43.57 55.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.828 0.851 . . . . 63.01 110.456 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -73.67 -24.75 60.01 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 122.966 0.506 . . . . 63.41 111.96 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -93.39 -51.1 5.13 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.232 0.613 . . . . 64.42 112.256 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.6 t -113.22 5.17 16.85 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.93 0.715 . . . . 74.52 112.93 -166.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 65.0 -79.5 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 124.373 1.069 . . . . 74.34 111.322 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.5 95.74 1.43 Allowed 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.516 0.726 . . . . 51.23 110.594 -178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 23.7 t -78.83 128.03 32.82 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.973 0.909 . . . . 72.4 109.135 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 16.5 m -57.02 -37.96 72.46 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.862 1.265 . . . . 73.24 114.221 -164.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -80.42 -29.53 37.65 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.052 0.541 . . . . 54.34 112.021 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.87 -103.17 0.79 Allowed Glycine 0 C--N 1.349 1.299 0 O-C-N 123.475 0.484 . . . . 73.45 112.967 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -75.27 -31.46 60.75 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.249 0.62 . . . . 74.12 110.677 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -84.77 7.31 21.1 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.555 0.742 . . . . 71.42 111.707 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.9 t -69.01 130.45 42.81 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.022 0.529 . . . . 64.21 110.112 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -64.64 -32.41 74.07 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.799 0.84 . . . . 63.23 112.082 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -101.74 159.53 15.25 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.609 0.764 . . . . 73.04 110.948 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.528 ' HB2' ' HB2' ' A' ' 100' ' ' LYS . . . -79.86 137.84 37.03 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.174 0.99 . . . . 55.33 112.539 -170.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -102.03 28.21 5.96 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.436 0.694 . . . . 75.32 109.977 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 172.99 162.52 25.22 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 116.323 -0.399 . . . . 75.41 112.76 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 10.2 p -63.67 -27.22 42.47 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.121 0 C-N-CA 124.329 1.052 . . . . 63.21 111.269 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -70.37 -33.63 71.65 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.309 1.044 . . . . 72.11 111.375 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.576 ' HB3' ' HD3' ' A' ' 100' ' ' LYS . 35.7 mt-10 -86.12 -1.42 57.38 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.099 0.56 . . . . 63.41 112.018 -178.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 82.7 mt -78.93 115.03 18.35 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.755 0.422 . . . . 71.33 111.31 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -86.18 146.26 26.64 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.626 -0.879 . . . . 73.01 108.626 171.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.8 154.76 91.11 Favored Pre-proline 0 CA--C 1.555 1.145 0 CA-C-N 116.028 -0.533 . . . . 70.35 110.698 176.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.68 110.16 0.69 Allowed 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.244 1.962 . . . . 74.53 110.605 168.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 23.4 ptp -111.36 169.51 8.75 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.001 0.92 . . . . 74.14 110.708 -174.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -153.94 154.22 29.71 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 123.415 0.686 . . . . 75.42 110.464 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.87 -34.14 54.26 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.631 2.887 . . . . 70.42 115.408 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -0.64 32.34 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 112.671 0.619 . . . . 64.52 112.671 -177.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -90.45 18.43 49.36 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-O 120.053 -0.304 . . . . 62.3 113.234 174.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -73.88 130.19 39.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.611 0.765 . . . . 75.54 110.549 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -69.35 94.94 0.75 Allowed 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 109.081 -0.711 . . . . 55.22 109.081 174.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -89.3 126.79 57.45 Favored Pre-proline 0 CA--C 1.55 0.955 0 CA-C-N 115.409 -0.814 . . . . 72.14 110.169 -175.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.15 99.82 1.28 Allowed 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 122.582 2.188 . . . . 72.41 112.572 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.537 ' HE2' HG23 ' A' ' 144' ' ' THR . 31.7 ttpt -101.55 158.16 16.28 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 108.658 -0.867 . . . . 75.01 108.658 170.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -56.33 -32.4 64.63 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.01 0.924 . . . . 74.12 112.525 -178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -126.49 32.72 5.12 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.708 0.766 . . . . 71.54 110.676 -174.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.537 HG23 ' HE2' ' A' ' 141' ' ' LYS . 31.7 p -108.17 -3.31 18.67 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 109.35 -0.611 . . . . 73.4 109.35 161.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.8 134.5 50.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.588 0 C-N-CA 124.355 1.062 . . . . 74.34 109.054 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 167' ' ' LYS . 76.0 mt -74.16 152.51 39.82 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.466 0.706 . . . . 62.53 109.766 175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 20.0 t -75.7 113.81 13.57 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.307 0.643 . . . . 74.34 110.095 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.1 -50.89 68.73 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.933 0.893 . . . . 74.54 110.76 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -55.15 -45.19 75.66 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.949 0.899 . . . . 72.35 111.472 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.439 ' HE1' ' HA ' ' A' ' 168' ' ' ILE . 50.5 t80 -67.06 -27.74 67.63 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.1 -0.954 . . . . 65.01 111.208 -176.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 38.7 m -88.63 -28.33 20.72 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.448 0.699 . . . . 70.42 112.468 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.0 mtm -86.71 -52.18 5.67 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.124 0.57 . . . . 73.14 111.421 -174.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.7 p -95.26 -31.99 13.22 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.276 0.63 . . . . 75.21 110.232 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 116.12 -20.84 12.52 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.547 -0.751 . . . . 33.32 112.114 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -131.69 150.88 52.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.573 0.749 . . . . 71.22 110.188 -177.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 39.0 t -118.54 119.61 35.03 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 108.185 -1.043 . . . . 53.3 108.185 172.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -75.59 -21.08 58.13 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.047 0.539 . . . . 74.02 111.927 -172.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 9.2 m-85 -66.65 -39.34 88.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.598 0.759 . . . . 62.32 110.516 176.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.23 -112.54 5.08 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 123.625 0.578 . . . . 53.34 112.569 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.5 p -68.97 -29.43 67.64 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.765 0.826 . . . . 72.33 110.982 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -75.86 -7.91 55.63 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.05 0.94 . . . . 74.33 111.463 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 46.6 t -77.27 124.41 27.81 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 108.897 -0.779 . . . . 70.01 108.897 172.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -85.25 -13.77 48.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.809 0.844 . . . . 65.24 111.481 -178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -88.81 149.96 23.15 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 123.899 0.88 . . . . 71.43 111.024 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 35.5 mt -62.31 111.65 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.163 0.985 . . . . 75.41 110.606 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -74.31 91.26 2.17 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.569 0.699 . . . . 74.42 109.195 170.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.466 ' HB2' HD22 ' A' ' 146' ' ' LEU . 27.6 tptp -87.08 119.66 27.54 Favored 'General case' 0 C--O 1.237 0.431 0 N-CA-C 107.034 -1.469 . . . . 64.25 107.034 177.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.439 ' HA ' ' HE1' ' A' ' 150' ' ' PHE . 39.9 mm -69.23 96.31 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-O 121.292 0.567 . . . . 73.33 110.253 -171.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 84.0 t -100.16 134.24 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 114.558 -1.201 . . . . 65.24 108.055 175.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -61.93 -42.57 99.26 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.37 0.668 . . . . 74.12 110.634 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 76.88 57.25 3.82 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.214 -0.903 . . . . 50.31 111.861 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -69.87 87.81 0.54 Allowed 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 121.972 0.892 . . . . 44.53 110.302 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 CA-C-N 115.031 -0.986 . . . . 53.54 108.878 -177.011 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.738 0.304 . . . . 71.24 110.271 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -76.04 164.25 26.33 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.285 0.634 . . . . 55.24 111.032 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 58.41 38.53 25.73 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.81 1.244 . . . . 62.1 112.092 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -126.36 96.08 4.58 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.956 0.902 . . . . 72.24 110.264 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.611 ' HG3' ' HD3' ' A' ' 129' ' ' ARG . 0.4 OUTLIER 46.1 32.43 1.41 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 126.622 1.969 . . . . 65.51 114.913 170.41 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 70.5 p -82.71 -18.42 40.93 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.405 -0.816 . . . . 62.11 110.009 170.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -123.93 156.75 35.76 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 124.896 1.279 . . . . 73.2 108.828 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -74.66 157.4 35.4 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.365 0.666 . . . . 62.53 111.854 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.2 t -79.32 121.1 24.69 Favored 'General case' 0 C--O 1.24 0.594 0 C-N-CA 124.196 0.998 . . . . 64.24 109.709 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.441 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 40.4 m-20 -66.14 -30.38 70.85 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.137 0.575 . . . . 62.24 111.424 -178.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.89 -31.02 68.6 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.141 0.577 . . . . 72.4 111.127 174.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 73.4 t80 -81.42 -30.91 33.4 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.104 0.562 . . . . 71.34 111.3 -177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.441 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 17.5 ptpt -84.44 -38.06 20.64 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 122.319 -0.238 . . . . 74.23 111.084 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -90.52 -51.08 5.58 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.735 0.414 . . . . 74.41 111.162 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.5 t -99.01 -21.8 16.05 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.433 0.693 . . . . 74.31 111.651 -173.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.415 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 95.4 mt-30 74.84 -53.64 0.67 Allowed 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.675 1.59 . . . . 75.03 111.328 -172.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.73 123.68 23.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.362 0.665 . . . . 74.23 110.403 173.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.6 t -109.2 126.35 53.19 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.221 1.008 . . . . 74.12 109.538 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.0 m -69.1 -31.04 69.48 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.637 0.775 . . . . 75.14 112.036 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -68.47 -32.0 71.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.051 0.54 . . . . 75.12 111.061 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 67.79 -120.23 12.27 Favored Glycine 0 C--N 1.347 1.194 0 O-C-N 123.633 0.583 . . . . 71.31 112.695 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -77.66 -18.51 56.62 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.61 0.764 . . . . 64.51 111.403 178.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -82.49 1.24 38.65 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.482 0.713 . . . . 74.22 111.785 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 37.9 t -67.36 117.25 9.09 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 122.997 0.519 . . . . 61.01 110.457 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -66.8 -34.61 78.19 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.549 0.74 . . . . 70.41 110.279 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -80.37 161.44 25.0 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.203 1.001 . . . . 74.55 111.873 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.24 128.12 32.91 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.108 0.963 . . . . 51.11 112.941 -170.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -97.42 68.95 2.2 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.626 0.77 . . . . 64.4 109.311 172.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.71 162.49 11.64 Favored Glycine 0 N--CA 1.473 1.163 0 CA-C-N 115.722 -0.672 . . . . 63.23 112.096 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.2 p -70.08 -24.57 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 C-N-CA 123.304 0.642 . . . . 75.23 111.309 -177.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -69.92 -31.22 68.87 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.305 0.642 . . . . 73.23 110.778 176.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -77.7 -15.4 59.18 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.83 0.852 . . . . 72.33 112.171 178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 mt -67.18 116.6 8.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 122.726 0.41 . . . . 70.4 111.133 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.611 ' HD3' ' HG3' ' A' ' 100' ' ' LYS . 10.6 mpt_? -89.25 135.01 33.81 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.05 -1.093 . . . . 75.41 108.05 167.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.6 pp -87.64 154.44 53.4 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 122.852 0.461 . . . . 73.4 110.302 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -62.0 110.62 1.03 Allowed 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.073 1.849 . . . . 71.53 109.786 167.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 23.6 mmt -61.21 106.31 0.6 Allowed 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.578 0.751 . . . . 73.22 110.471 -171.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.56 ' ND2' ' HA3' ' A' ' 136' ' ' GLY . 55.1 t30 -74.39 112.31 16.62 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 124.487 1.115 . . . . 73.4 110.839 -173.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -57.21 117.11 3.74 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 123.11 2.54 . . . . 55.11 112.378 177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 69.7 16.45 7.93 Favored 'General case' 0 CA--C 1.559 1.289 0 C-N-CA 124.976 1.31 . . . . 64.25 111.43 175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.56 ' HA3' ' ND2' ' A' ' 133' ' ' ASN . . . -110.19 -29.54 3.7 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-O 119.819 -0.434 . . . . 75.41 112.607 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 64.96 96.74 0.05 OUTLIER 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.772 1.229 . . . . 74.22 112.235 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 64.79 -78.8 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.539 1.536 . . . . 72.44 111.946 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -65.93 144.27 98.76 Favored Pre-proline 0 CA--C 1.557 1.25 0 C-N-CA 122.951 0.5 . . . . 71.34 111.266 -175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -77.19 75.0 4.81 Favored 'Trans proline' 0 C--N 1.382 2.315 0 C-N-CA 122.843 2.362 . . . . 75.34 112.458 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.76 100.9 2.46 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.763 -1.199 . . . . 64.12 107.763 174.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -69.74 -46.28 66.23 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.322 1.049 . . . . 62.32 112.47 -165.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -73.32 99.88 3.02 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.038 -0.727 . . . . 70.13 109.038 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 43.8 p -106.56 -41.54 5.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.59 0.756 . . . . 52.34 111.269 -174.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.5 t -87.81 139.96 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.585 0.754 . . . . 75.21 109.392 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.56 148.88 48.83 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.334 0.653 . . . . 71.44 110.851 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.8 t -82.53 113.17 20.07 Favored 'General case' 0 C--O 1.241 0.632 0 N-CA-C 108.557 -0.905 . . . . 73.35 108.557 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -67.99 -49.93 58.67 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.458 0.703 . . . . 72.43 111.151 -171.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.95 -30.24 69.49 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 116.19 -0.459 . . . . 73.52 111.746 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -74.76 -23.23 58.5 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 110.016 -0.364 . . . . 72.14 110.016 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.1 t -86.03 -30.49 22.63 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.291 0.636 . . . . 51.21 111.087 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.2 mtm -90.48 -53.22 4.53 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.866 0.466 . . . . 73.23 111.762 -175.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 36.2 p -96.65 -20.64 18.14 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.106 0.562 . . . . 75.43 110.91 -177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 90.27 -0.3 78.03 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.219 -0.446 . . . . 60.2 112.925 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -131.92 144.33 50.76 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.457 0.703 . . . . 72.15 110.946 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 42.3 t -122.84 122.78 39.48 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.59 1.156 . . . . 75.34 108.911 176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -15.79 61.75 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.887 0.875 . . . . 74.42 112.6 -174.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . 0.407 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 76.9 m-85 -86.73 -27.06 23.9 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.331 0.652 . . . . 74.44 111.025 176.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.93 -125.74 30.76 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 111.827 -0.509 . . . . 74.34 111.827 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.4 p -71.98 -15.65 62.06 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 117.394 0.597 . . . . 71.41 112.208 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 57.7 mtm-85 -73.73 -15.78 61.2 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.44 0.696 . . . . 74.01 111.623 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 49.1 t -67.61 127.8 34.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.886 0.874 . . . . 64.51 110.385 177.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -85.07 9.12 15.65 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.454 0.702 . . . . 73.2 111.911 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -113.17 149.5 33.57 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.907 0.883 . . . . 74.34 110.533 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 44.3 mt -64.08 120.08 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.458 1.103 . . . . 72.41 110.842 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -92.46 94.14 8.94 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.89 0.476 . . . . 71.11 110.051 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -97.43 116.23 29.25 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 108.159 -1.052 . . . . 64.31 108.159 168.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 61.2 mt -68.37 130.31 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 123.446 0.698 . . . . 74.55 109.489 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 52.4 t -62.11 118.72 4.8 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.471 0.708 . . . . 34.21 110.511 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -83.68 169.53 15.2 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.53 -0.759 . . . . 74.12 110.77 -176.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 104.12 100.3 2.6 Favored Glycine 0 C--N 1.341 0.854 0 CA-C-O 119.667 -0.519 . . . . 64.31 111.935 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 49.03 28.37 2.02 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 126.167 1.787 . . . . 62.13 113.787 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 0 C-N-CA 123.946 0.898 . . . . 75.53 108.781 179.802 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.397 0.142 . . . . 61.14 110.775 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -72.34 144.89 48.11 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.531 0.732 . . . . 61.24 110.262 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.81 -0.44 14.21 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.548 0.739 . . . . 72.45 112.556 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -94.74 106.06 18.03 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.815 0.446 . . . . 75.23 111.002 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 65.91 15.99 10.29 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.054 1.342 . . . . 75.52 112.899 167.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.8 p -79.43 -15.33 58.0 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.625 0.77 . . . . 71.0 110.972 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.46 142.28 49.18 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.4 1.08 . . . . 70.41 108.808 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 79.9 mt -63.0 149.69 44.28 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 121.398 0.618 . . . . 73.12 111.681 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 53.0 t -81.93 112.83 19.39 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 114.848 -1.069 . . . . 65.42 109.333 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -60.69 -42.77 97.81 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.72 0.808 . . . . 75.4 110.489 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.39 -35.29 75.41 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 124.113 0.883 . . . . 62.35 111.68 178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -70.73 -47.45 59.66 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.899 0.48 . . . . 73.42 110.489 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -62.71 -40.5 97.36 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.972 0.509 . . . . 75.32 111.852 -175.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -79.75 -28.72 40.41 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.969 0.508 . . . . 75.31 111.927 -172.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.5 m -113.25 -6.82 13.58 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.031 0.752 . . . . 63.21 113.031 -174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 67.34 13.64 9.43 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.879 1.272 . . . . 73.24 111.632 -172.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -170.59 134.11 1.06 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.316 1.446 . . . . 74.12 108.411 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.4 t -82.75 143.43 30.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.406 0.682 . . . . 53.25 110.916 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 55.5 p -66.29 -41.58 89.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.953 0.901 . . . . 74.54 111.567 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.472 ' HB2' ' HB2' ' A' ' 119' ' ' CYS . 81.4 m-85 -81.09 -33.12 33.57 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.291 0.636 . . . . 74.42 111.27 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 63.6 -103.32 0.67 Allowed Glycine 0 C--N 1.349 1.287 0 O-C-N 123.977 0.798 . . . . 75.22 113.179 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -73.74 -24.55 59.9 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.444 0.698 . . . . 71.13 111.315 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.422 ' HB2' ' HB3' ' A' ' 115' ' ' TYR . 18.5 mm-40 -77.52 -14.23 59.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.162 0.585 . . . . 75.34 111.473 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 115' ' ' TYR . 53.7 t -82.24 126.43 32.09 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.328 0.651 . . . . 75.23 109.97 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -91.03 -6.45 53.89 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.142 0.577 . . . . 54.15 111.55 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -82.71 159.65 22.53 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.647 0.779 . . . . 74.25 111.311 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.64 127.01 31.28 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.144 0.978 . . . . 51.15 112.732 -175.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -101.19 66.89 1.15 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.28 1.032 . . . . 75.14 108.79 176.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.82 165.63 14.47 Favored Glycine 0 N--CA 1.471 1.02 0 CA-C-N 115.204 -0.907 . . . . 60.22 111.7 -174.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.24 -21.2 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 122.64 0.376 . . . . 70.35 111.413 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -69.7 -33.01 71.94 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.032 0.444 . . . . 72.01 110.113 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -80.61 -24.73 38.89 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.583 -0.735 . . . . 64.41 111.062 173.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -67.08 111.55 3.94 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.93 -0.767 . . . . 73.13 108.93 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -119.11 138.44 52.9 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.641 1.176 . . . . 60.15 109.331 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.89 150.06 77.87 Favored Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 123.17 0.588 . . . . 45.0 111.009 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -83.56 50.65 3.28 Favored 'Trans proline' 0 C--N 1.383 2.347 0 C-N-CA 123.406 2.738 . . . . 60.31 111.892 -178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 32.0 mmt 60.64 26.17 15.9 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.897 1.279 . . . . 63.25 111.328 -173.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -131.09 118.12 17.3 Favored Pre-proline 0 CA--C 1.54 0.595 0 C-N-CA 124.518 1.127 . . . . 75.12 108.038 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -47.79 118.99 3.4 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 123.369 2.713 . . . . 74.01 112.67 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -65.53 116.23 6.58 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.891 0.876 . . . . 72.25 111.369 -171.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 89.97 -66.62 2.77 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 115.62 -0.718 . . . . 54.25 112.362 177.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -77.02 108.97 10.46 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 122.958 0.503 . . . . 71.15 110.909 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -87.69 -66.62 0.89 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 107.664 -1.235 . . . . 74.05 107.664 169.501 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -171.88 146.75 1.84 Allowed Pre-proline 0 N--CA 1.478 0.95 0 C-N-CA 124.736 1.214 . . . . 73.21 108.531 173.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -80.85 51.58 4.0 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 123.071 2.514 . . . . 64.23 112.239 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt 56.06 45.83 22.87 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 124.744 1.218 . . . . 75.35 110.184 -171.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -65.53 -51.97 55.98 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.871 -1.059 . . . . 72.45 110.366 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -81.06 108.62 14.88 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.573 -0.74 . . . . 43.52 109.176 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 74.2 p -113.55 -55.06 2.55 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.024 0.93 . . . . 73.24 111.097 -171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 61.1 t -93.4 147.74 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.907 0.883 . . . . 74.42 109.758 -176.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.453 HD23 ' HB ' ' A' ' 165' ' ' ILE . 92.8 mt -69.96 152.66 44.2 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.46 0.704 . . . . 72.45 110.929 176.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 24.7 t -84.81 114.0 21.76 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 123.202 0.601 . . . . 73.23 109.392 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -71.22 -42.23 69.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.301 0.641 . . . . 53.32 109.936 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -62.84 -32.59 73.83 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.268 0.627 . . . . 74.2 111.42 -177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -67.59 -50.29 59.0 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.319 0.648 . . . . 75.43 110.268 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.7 p -74.27 -34.66 63.63 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.268 0.627 . . . . 33.31 112.38 -172.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.7 mtm -75.79 -39.68 56.51 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 122.939 0.496 . . . . 73.21 112.33 -174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 43.6 p -96.5 -42.66 7.98 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 120.802 0.334 . . . . 71.43 110.659 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 141.14 -35.74 1.81 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 111.484 -0.646 . . . . 61.51 111.484 -177.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -147.29 163.95 34.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.99 0.916 . . . . 63.43 110.61 -178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 36.4 t -120.5 120.46 35.93 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.375 1.07 . . . . 71.22 108.411 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -23.67 61.41 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.593 0.757 . . . . 65.14 112.614 -170.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . 0.482 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 23.7 m-85 -66.45 -42.09 88.15 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.034 0.534 . . . . 72.54 111.811 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.91 -102.85 0.62 Allowed Glycine 0 C--N 1.347 1.144 0 O-C-N 123.651 0.595 . . . . 62.33 112.859 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 8.8 t -76.48 -20.66 56.75 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.671 0.788 . . . . 71.53 111.453 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 70.2 mtp180 -73.7 -26.02 60.51 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.326 0.651 . . . . 71.2 110.337 175.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 49.3 t -74.29 122.96 23.7 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.747 0.819 . . . . 71.11 109.889 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -79.14 -11.64 59.98 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.52 0.728 . . . . 71.12 111.826 -178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -93.9 149.65 21.05 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.76 0.824 . . . . 64.23 111.162 -174.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.453 ' HB ' HD23 ' A' ' 146' ' ' LEU . 61.6 mt -65.28 125.24 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.547 1.139 . . . . 62.44 110.909 -178.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -97.07 94.83 7.38 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.469 0.708 . . . . 75.11 109.426 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -91.32 114.43 26.95 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.839 -1.171 . . . . 73.5 107.839 168.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 46.3 mt -68.08 97.88 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 C-N-CA 123.708 0.803 . . . . 64.11 109.996 -172.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 46.6 t -72.6 130.13 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.549 0.74 . . . . 72.23 110.132 -177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -76.39 173.74 11.09 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.737 0.815 . . . . 52.04 110.888 177.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -60.17 -32.36 76.06 Favored Glycine 0 C--N 1.349 1.277 0 CA-C-N 116.022 -0.536 . . . . 73.44 113.319 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -149.15 136.23 19.89 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.806 0.843 . . . . 74.32 109.33 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 C-N-CA 123.708 0.803 . . . . 74.4 109.227 179.749 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.486 1.37 0 N-CA-C 110.718 -0.105 . . . . 72.12 110.718 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -87.77 169.38 12.13 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.343 0.657 . . . . 74.31 110.328 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.95 83.51 0.95 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.365 0.666 . . . . 53.54 110.658 -178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -149.61 136.26 19.35 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 108.11 -1.071 . . . . 74.11 108.11 -177.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 121' ' ' PHE . 16.9 ptpt 46.13 47.28 13.08 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 126.301 1.84 . . . . 73.51 113.052 -177.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 71.7 p -84.49 -18.66 35.11 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 113.89 -1.504 . . . . 73.34 110.941 176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.21 165.93 18.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.247 1.019 . . . . 60.43 109.265 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.8 mt -77.55 148.18 35.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.835 0.454 . . . . 63.43 110.739 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 45.5 t -75.51 122.62 24.14 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.462 1.105 . . . . 73.12 110.389 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -56.29 -46.48 79.76 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.284 1.034 . . . . 73.5 111.278 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.08 77.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.685 0.794 . . . . 33.54 111.698 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -70.71 -31.08 67.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.559 0.743 . . . . 74.24 111.295 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -84.62 -34.31 23.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.637 0.375 . . . . 54.25 111.719 -177.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -86.31 -45.23 11.43 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.161 0.43 . . . . 64.32 112.161 -174.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.4 p -113.03 -2.04 14.31 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.028 0.531 . . . . 51.42 112.185 -174.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 69.16 -71.12 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 125.093 1.357 . . . . 72.15 111.651 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.94 94.96 2.4 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 109.445 -0.576 . . . . 74.31 109.445 172.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.0 t -71.66 125.54 27.38 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.113 0.965 . . . . 74.23 110.109 -178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.8 t -71.8 -26.31 62.36 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.726 0.811 . . . . 61.25 111.655 -174.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.563 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 42.1 m-85 -74.38 -24.73 59.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.669 0.788 . . . . 72.31 111.161 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.3 -142.46 44.48 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 123.415 0.447 . . . . 64.34 113.199 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -65.29 -17.29 64.39 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.33 0.652 . . . . 63.54 111.952 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -77.54 3.82 12.69 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.077 0.951 . . . . 75.24 111.92 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 80.8 m -63.6 138.83 58.66 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.851 0.86 . . . . 52.15 111.58 172.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -78.72 -6.17 55.12 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.52 0.728 . . . . 73.0 111.089 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.56 ' HA ' ' HA ' ' A' ' 100' ' ' LYS . 51.6 m-85 -124.84 159.69 30.48 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.165 0.986 . . . . 73.32 110.548 178.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.57 148.15 37.21 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.891 1.277 . . . . 52.24 112.819 -172.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -105.96 29.06 7.01 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.304 1.042 . . . . 73.53 109.908 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 177.71 157.29 18.25 Favored Glycine 0 C--N 1.342 0.895 0 CA-C-N 115.766 -0.652 . . . . 54.43 111.931 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.5 -23.73 26.62 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.947 0 C-N-CA 123.834 0.854 . . . . 61.3 111.351 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -72.66 -34.4 67.22 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.663 0.785 . . . . 75.11 110.916 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -85.09 1.08 49.39 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.187 0.595 . . . . 73.03 111.85 -178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.3 mt -70.5 114.47 8.64 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.419 0.287 . . . . 61.35 110.656 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -81.35 133.84 35.48 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 107.578 -1.268 . . . . 75.23 107.578 164.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.1 pp -67.82 149.92 98.03 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 118.835 -0.603 . . . . 62.43 110.081 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.33 94.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 122.846 2.364 . . . . 73.32 112.255 176.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 35.3 mtm -80.55 122.45 27.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.226 1.01 . . . . 73.25 110.642 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -150.04 115.34 3.43 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 108.105 -1.072 . . . . 73.13 108.105 177.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.71 148.94 72.79 Favored 'Trans proline' 0 C--N 1.376 2.005 0 C-N-CA 122.528 2.152 . . . . 63.13 111.665 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -73.33 88.53 1.55 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.064 0.545 . . . . 75.31 109.712 -176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.37 -68.51 1.58 Allowed Glycine 0 C--N 1.345 1.078 0 CA-C-N 115.667 -0.697 . . . . 72.12 112.484 -178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 31.1 mmm180 -118.2 98.87 6.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.499 0.72 . . . . 74.54 109.686 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -136.9 96.71 3.36 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.936 0.895 . . . . 74.41 108.688 175.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -80.44 158.79 71.05 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 123.288 0.635 . . . . 74.22 109.954 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.62 112.65 1.84 Allowed 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 121.745 1.63 . . . . 71.23 110.03 168.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -92.59 100.0 12.6 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 121.645 0.736 . . . . 75.43 110.805 -174.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.456 ' HB2' ' HB2' ' A' ' 163' ' ' GLN . 24.0 p90 -135.79 -45.05 0.66 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.928 0.891 . . . . 74.1 109.791 178.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -94.95 49.23 1.22 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.882 0.848 . . . . 70.25 110.074 175.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 37.2 p -96.88 -23.26 16.43 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.687 -1.142 . . . . 74.55 109.631 169.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.4 t -109.87 143.3 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 C-N-CA 124.73 1.212 . . . . 51.31 109.46 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 59.1 mt -77.39 148.12 35.68 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.154 0.582 . . . . 75.34 109.49 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 15.4 t -69.67 113.32 6.82 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 109.145 -0.687 . . . . 65.2 109.145 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.96 -52.61 63.34 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.896 0.878 . . . . 75.01 111.792 -168.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -69.73 -29.72 67.16 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.98 -0.554 . . . . 64.21 111.045 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -73.92 -22.56 59.64 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 109.851 -0.425 . . . . 75.21 109.851 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 51.0 m -84.06 -43.82 14.71 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.481 0.712 . . . . 45.43 111.363 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.0 mtm -83.08 -54.33 5.13 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.084 0.554 . . . . 62.45 111.687 -171.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 22.0 p -96.13 -17.33 20.94 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.067 0.547 . . . . 73.31 110.074 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 85.2 5.18 85.82 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 116.007 -0.542 . . . . 60.25 113.076 -178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -134.76 133.97 40.46 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.842 0.857 . . . . 73.33 110.433 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 35.1 t -121.74 123.2 41.28 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.116 0.966 . . . . 71.5 108.739 172.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -25.15 65.55 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.635 0.774 . . . . 61.31 112.525 -174.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -75.11 -31.81 61.23 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.479 0.712 . . . . 74.22 111.523 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.01 -115.83 8.57 Favored Glycine 0 C--N 1.35 1.352 0 O-C-N 123.644 0.59 . . . . 42.34 112.979 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 41.2 p -71.13 -24.31 62.25 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.206 0.602 . . . . 71.33 111.788 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -84.24 2.62 39.12 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.176 0.59 . . . . 74.23 112.153 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.32 129.28 37.69 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.128 0.571 . . . . 73.32 110.729 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 142' ' ' TYR . 26.5 pt20 -86.37 -0.16 55.31 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.068 0.547 . . . . 73.2 111.966 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -111.51 150.42 29.97 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.664 0.785 . . . . 72.12 110.39 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 59.2 mt -65.62 115.3 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.865 0.866 . . . . 62.35 111.767 -173.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -81.59 102.61 10.75 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.045 0.538 . . . . 74.53 111.071 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -105.39 120.61 42.02 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 124.022 0.929 . . . . 61.01 108.934 169.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.45 125.27 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.177 -0.675 . . . . 75.21 109.177 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.99 117.28 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.993 0.917 . . . . 75.1 110.168 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -78.6 175.0 10.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.083 0.953 . . . . 74.45 110.777 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -75.16 80.47 0.97 Allowed Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.876 -0.602 . . . . 70.22 112.153 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -132.96 86.4 2.3 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.578 0.751 . . . . 62.0 109.075 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.31 0 C-N-CA 124.216 1.007 . . . . 72.15 108.538 178.377 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.882 -0.414 . . . . 71.11 109.882 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -77.45 150.52 34.96 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.528 0.731 . . . . 74.42 110.658 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.53 6.66 44.74 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.353 0.661 . . . . 61.02 112.397 -175.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -70.28 125.97 28.32 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 109.09 -0.707 . . . . 73.11 109.09 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.46 ' HD3' ' HB3' ' A' ' 127' ' ' GLU . 17.9 ptpt 45.72 37.76 3.64 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.481 1.912 . . . . 73.11 113.978 178.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 76.1 p -88.49 -11.98 44.27 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.255 -0.884 . . . . 72.44 110.85 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.51 158.9 39.68 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.635 1.174 . . . . 75.54 109.046 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 97.3 mt -76.2 156.24 33.8 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 123.231 0.613 . . . . 64.44 112.459 -173.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 47.4 t -88.84 123.67 33.44 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.513 1.125 . . . . 70.3 110.614 -175.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.513 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 63.5 m-20 -70.44 -29.53 66.14 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.443 0.697 . . . . 72.31 111.288 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.76 -30.18 69.57 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.331 0.653 . . . . 71.21 111.041 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -78.25 -42.46 31.06 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.377 0.671 . . . . 73.42 110.938 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.513 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 17.9 ptpt -76.89 -36.4 56.72 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.18 0.192 . . . . 74.12 111.505 -174.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -91.38 -52.27 4.88 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.74 0.416 . . . . 73.31 111.945 -174.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.2 t -95.95 -26.37 15.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.079 0.552 . . . . 60.15 111.305 -173.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 65.41 20.23 11.73 Favored 'General case' 0 N--CA 1.49 1.525 0 C-N-CA 124.565 1.146 . . . . 62.34 111.116 -172.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -149.28 104.79 3.42 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.991 0.917 . . . . 61.2 109.125 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.4 t -103.95 126.84 51.37 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.088 0.955 . . . . 63.2 109.233 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.9 p -73.93 -37.65 64.52 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.701 0.8 . . . . 61.13 112.075 -172.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -72.49 -29.29 63.5 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.991 0.516 . . . . 74.4 111.878 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.9 -108.28 2.31 Favored Glycine 0 C--N 1.349 1.275 0 O-C-N 123.705 0.628 . . . . 72.53 113.295 176.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -75.5 -27.64 58.86 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.458 0.703 . . . . 72.11 110.91 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.65 3.35 37.47 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.181 0.593 . . . . 71.42 111.406 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.8 t -71.66 118.54 14.62 Favored 'General case' 0 C--N 1.348 0.501 0 N-CA-C 109.313 -0.625 . . . . 72.34 109.313 173.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.481 ' HD2' ' H ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -77.63 14.11 1.11 Allowed 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.428 0.691 . . . . 72.53 112.339 179.772 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -131.29 141.38 49.95 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.288 1.035 . . . . 73.42 109.516 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.38 138.73 45.47 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.656 1.182 . . . . 61.34 112.696 -170.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 54.2 m170 -97.26 28.82 3.45 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.776 0.83 . . . . 53.25 110.197 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 158.66 171.07 24.03 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.754 -0.657 . . . . 71.34 111.651 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.6 p -70.42 -24.78 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 123.275 0.63 . . . . 52.11 111.075 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -65.34 -34.21 77.8 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.901 0.88 . . . . 74.42 110.896 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.46 ' HB3' ' HD3' ' A' ' 100' ' ' LYS . 46.2 mt-10 -86.08 -12.6 49.68 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.615 0.766 . . . . 74.42 111.962 178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 49.2 mt -67.93 112.68 5.09 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.395 0.543 . . . . 53.03 110.338 176.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -94.77 131.04 41.04 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 107.387 -1.338 . . . . 73.32 107.387 167.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -81.82 142.33 48.72 Favored Pre-proline 0 CA--C 1.55 0.95 0 CA-C-O 119.601 -0.237 . . . . 64.23 110.432 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -59.74 129.38 30.51 Favored 'Trans proline' 0 C--N 1.371 1.75 0 C-N-CA 122.837 2.358 . . . . 63.54 111.601 168.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.406 ' SD ' ' N ' ' A' ' 132' ' ' MET . 0.6 OUTLIER -72.1 85.79 1.03 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.469 0.708 . . . . 74.12 110.292 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -92.49 152.53 42.22 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 114.556 -1.202 . . . . 72.11 110.012 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -75.56 -171.79 1.13 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.443 2.095 . . . . 71.24 111.821 175.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -78.46 82.35 4.74 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 109.22 -0.659 . . . . 74.41 109.22 177.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -89.07 -51.75 2.92 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-N 115.278 -0.874 . . . . 61.32 112.227 -178.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -76.2 111.61 11.8 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.375 0.607 . . . . 73.21 110.21 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -136.43 119.67 16.71 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.13 0.972 . . . . 74.21 109.142 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -70.93 149.15 94.9 Favored Pre-proline 0 CA--C 1.557 1.246 0 CA-C-O 119.059 -0.496 . . . . 74.22 110.015 175.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -49.26 -28.91 15.87 Favored 'Trans proline' 0 C--N 1.387 2.596 0 C-N-CA 123.968 3.112 . . . . 52.4 115.236 -173.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -79.61 82.68 5.69 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.251 0.62 . . . . 73.11 109.555 176.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -77.95 -55.4 5.34 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.973 0.509 . . . . 72.32 110.011 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -75.11 102.46 4.92 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 107.994 -1.113 . . . . 54.0 107.994 178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.9 p -111.4 -42.5 3.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.883 0.873 . . . . 74.11 111.084 -172.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 49.1 t -83.5 145.2 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 123.554 0.742 . . . . 62.12 109.292 177.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.35 153.22 40.59 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.254 0.622 . . . . 72.44 111.224 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 11.7 t -86.86 114.26 23.36 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.482 0.713 . . . . 74.21 109.556 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -64.76 -51.7 60.89 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.661 0.785 . . . . 61.0 110.64 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -61.37 -45.25 95.15 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.6 -0.727 . . . . 74.41 111.436 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 47.6 t80 -71.55 -23.73 61.81 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 116.089 -0.505 . . . . 74.45 111.813 -174.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.0 p -85.97 -36.23 19.94 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 122.3 -0.25 . . . . 64.3 111.19 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 69.8 mtm -86.12 -52.34 5.74 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 122.918 0.487 . . . . 75.11 111.92 -174.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 62.9 p -95.85 -26.68 15.53 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.977 0.511 . . . . 42.21 110.625 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 88.51 2.25 79.7 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.769 -0.65 . . . . 74.24 112.694 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -125.31 128.36 48.11 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.161 0.984 . . . . 75.41 109.203 -175.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 49.5 t -121.42 122.58 40.1 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.617 0.767 . . . . 72.15 109.235 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.66 -52.24 62.97 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.215 1.406 . . . . 65.22 111.919 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -70.65 -24.74 62.76 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 114.912 -1.04 . . . . 72.44 112.427 -173.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.82 -117.87 9.14 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 123.457 0.473 . . . . 44.13 113.272 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 36.2 p -75.67 -29.72 59.16 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.888 0.475 . . . . 73.11 110.873 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -75.45 -0.53 20.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.294 0.638 . . . . 74.41 112.121 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 51.5 t -63.24 122.25 15.68 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 123.14 0.576 . . . . 53.5 109.826 172.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -81.07 12.0 3.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.043 0.937 . . . . 53.22 111.779 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -121.73 149.24 43.55 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.602 1.161 . . . . 73.14 110.324 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.439 HG22 ' HG2' ' A' ' 167' ' ' LYS . 25.7 mt -68.34 121.35 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.909 0.884 . . . . 74.2 110.487 -178.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -85.9 98.99 11.1 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.297 0.639 . . . . 62.34 110.827 173.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.439 ' HG2' HG22 ' A' ' 165' ' ' ILE . 32.4 mmmt -115.96 117.95 31.57 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.846 0.858 . . . . 72.04 109.351 173.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 63.2 mt -78.02 101.68 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 108.298 -1.001 . . . . 74.3 108.298 172.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.42 109.71 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 123.146 0.578 . . . . 72.34 109.616 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -69.33 148.04 50.26 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.608 0.763 . . . . 72.3 111.876 -173.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 136.84 154.57 6.76 Favored Glycine 0 C--N 1.341 0.842 0 CA-C-N 115.659 -0.7 . . . . 44.54 111.746 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 67.53 -76.73 0.05 Allowed 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.068 1.347 . . . . 73.2 111.511 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 C-N-CA 123.797 0.839 . . . . 43.12 109.199 -178.542 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 109.879 -0.415 . . . . 70.24 109.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -88.11 160.4 17.81 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.287 1.035 . . . . 72.31 109.804 176.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.7 86.79 0.21 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.518 0.727 . . . . 74.31 111.296 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -116.83 138.2 51.67 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 124.386 1.074 . . . . 74.23 109.247 174.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.532 ' HB2' ' HD3' ' A' ' 129' ' ' ARG . 31.6 mmtp 62.26 21.95 12.84 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.351 1.46 . . . . 64.0 111.828 174.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.2 p -78.63 -8.14 58.35 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.923 0.889 . . . . 71.0 112.633 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.3 165.21 29.95 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.656 0.782 . . . . 55.13 110.138 175.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.79 149.84 47.52 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.177 0.591 . . . . 73.33 111.453 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.0 t -88.93 120.32 30.23 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.668 0.787 . . . . 72.31 110.243 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.413 ' HA ' ' HG2' ' A' ' 108' ' ' LYS . 29.6 t70 -66.28 -37.16 84.81 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.622 0.769 . . . . 74.22 110.481 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.97 -22.1 64.13 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.555 0.742 . . . . 75.13 112.032 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 111' ' ' GLN . 87.5 t80 -86.99 -36.12 18.43 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 122.995 0.518 . . . . 65.22 111.206 178.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.413 ' HG2' ' HA ' ' A' ' 105' ' ' ASP . 14.5 ptmm? -86.31 -37.88 18.07 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 111.979 0.363 . . . . 71.43 111.979 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -92.73 -50.53 5.53 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.635 0.774 . . . . 71.32 111.896 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.2 t -92.7 -12.93 30.21 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.042 0.537 . . . . 64.2 111.66 -175.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 107' ' ' TYR . 23.6 tp60 69.59 -67.8 0.21 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.624 1.57 . . . . 70.23 111.505 -175.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.21 106.48 7.85 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.147 0.579 . . . . 71.31 110.034 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.5 t -79.77 125.75 30.08 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.846 0.858 . . . . 73.43 109.594 174.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.5 p -67.92 -32.59 73.16 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.823 0.849 . . . . 71.53 112.128 -172.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -72.96 -41.39 64.47 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.703 0.401 . . . . 75.32 111.091 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.16 -107.46 1.97 Allowed Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.992 -0.549 . . . . 61.53 112.551 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -73.82 -19.78 60.65 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.351 0.661 . . . . 75.22 111.56 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -89.02 0.73 56.42 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.585 0.754 . . . . 70.25 111.697 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 45.9 t -71.48 130.55 41.56 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.153 0.581 . . . . 70.35 110.367 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -81.18 -7.06 59.49 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.062 0.545 . . . . 75.4 111.284 178.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -110.25 154.43 23.43 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.964 0.905 . . . . 72.32 110.561 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.39 138.72 43.55 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.778 1.231 . . . . 73.12 112.487 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -108.77 29.19 7.68 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.713 0.805 . . . . 74.1 109.916 174.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 178.84 154.7 13.2 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 111.809 -0.516 . . . . 75.34 111.809 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.509 ' HA ' HD23 ' A' ' 128' ' ' LEU . 12.1 p -63.05 -32.81 57.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.045 0.938 . . . . 70.14 111.555 -177.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -68.05 -24.44 65.08 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.18 0.992 . . . . 55.44 111.588 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -86.4 -7.44 58.44 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 118.242 -0.885 . . . . 73.02 113.168 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 125' ' ' VAL . 4.3 mm? -67.47 110.34 3.59 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 119.73 1.15 . . . . 71.25 111.206 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.532 ' HD3' ' HB2' ' A' ' 100' ' ' LYS . 10.7 mpt_? -95.86 -179.29 4.66 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.312 1.045 . . . . 61.12 109.205 169.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.433 HD13 ' NE2' ' A' ' 139' ' ' HIS . 4.0 pp -130.28 154.17 81.39 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 114.902 -1.045 . . . . 73.02 109.721 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.67 122.93 12.48 Favored 'Trans proline' 0 C--N 1.379 2.147 0 C-N-CA 122.752 2.302 . . . . 60.04 112.745 171.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -69.28 101.01 1.41 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.242 1.017 . . . . 73.53 110.656 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.477 HD22 ' HB2' ' A' ' 139' ' ' HIS . 44.6 t30 -74.57 123.09 88.84 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 123.516 0.726 . . . . 71.2 109.766 176.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.85 163.1 16.88 Favored 'Trans proline' 0 C--N 1.382 2.301 0 C-N-CA 123.181 2.587 . . . . 54.02 112.871 176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -75.53 101.32 4.84 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.128 0.571 . . . . 74.42 109.906 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -179.17 -75.3 0.06 OUTLIER Glycine 0 C--N 1.34 0.796 0 N-CA-C 109.242 -1.543 . . . . 52.24 109.242 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -74.73 150.37 39.46 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.987 0.915 . . . . 64.25 109.41 170.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -73.24 166.69 22.67 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.887 0.475 . . . . 72.24 110.355 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.688 ' HB3' HG21 ' A' ' 144' ' ' THR . 48.2 t-80 -131.77 140.88 39.65 Favored Pre-proline 0 CA--C 1.555 1.159 0 N-CA-C 108.613 -0.884 . . . . 61.05 108.613 178.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -59.05 -3.42 1.6 Allowed 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 124.114 3.209 . . . . 60.01 116.496 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.629 ' HG2' ' H ' ' A' ' 143' ' ' LYS . 3.8 ttmp? -70.25 138.33 51.56 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.857 0.753 . . . . 54.2 109.62 170.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -63.0 -23.23 67.35 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 124.343 1.057 . . . . 74.24 112.594 -178.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.629 ' H ' ' HG2' ' A' ' 141' ' ' LYS . 4.5 ttmp? -111.4 73.95 0.84 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.99 0.916 . . . . 62.23 109.402 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.688 HG21 ' HB3' ' A' ' 139' ' ' HIS . 45.2 p -136.35 -43.25 0.62 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.797 0.839 . . . . 73.52 110.001 177.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 46.0 t -78.84 152.09 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 N-CA-C 108.542 -0.911 . . . . 72.45 108.542 172.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 56.8 mt -77.16 157.56 30.87 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.984 0.513 . . . . 72.1 111.804 -175.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 42.1 t -76.2 118.66 19.16 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.386 1.074 . . . . 64.41 110.146 -175.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.57 -47.91 83.71 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.471 1.108 . . . . 75.54 111.097 -175.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.68 -43.28 97.15 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.163 -0.926 . . . . 73.12 110.924 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.83 -24.11 61.65 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-N 115.703 -0.68 . . . . 64.22 110.442 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.4 t -80.68 -34.46 34.69 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.458 0.703 . . . . 55.31 111.137 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.7 mtm -86.02 -52.52 5.65 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.134 0.574 . . . . 55.24 111.496 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 35.9 p -97.01 -19.47 18.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.245 0.618 . . . . 73.21 111.307 -172.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 88.66 -3.21 85.01 Favored Glycine 0 C--N 1.348 1.2 0 CA-C-N 116.259 -0.428 . . . . 54.55 112.549 -174.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -136.58 143.16 43.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.86 0.864 . . . . 61.44 110.227 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 53.6 t -122.07 138.16 54.55 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.989 0.915 . . . . 71.41 108.929 175.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -77.02 -50.76 12.39 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.678 0.791 . . . . 74.25 111.652 -174.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . 0.441 ' HB3' ' HB2' ' A' ' 161' ' ' ARG . 35.4 m-85 -65.99 -28.87 69.22 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 113.056 0.761 . . . . 74.2 113.056 -174.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 67.84 -109.07 2.71 Favored Glycine 0 C--N 1.346 1.109 0 O-C-N 123.186 0.304 . . . . 65.24 113.111 177.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 15.0 t -72.58 -24.36 61.09 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.999 0.519 . . . . 64.41 110.745 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 158' ' ' TYR . 56.5 mtp180 -77.17 -11.42 59.82 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.711 0.804 . . . . 74.45 111.769 177.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 43.0 t -71.48 137.73 48.42 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 123.064 0.545 . . . . 72.12 110.537 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -69.72 -49.89 48.87 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 115.397 -0.82 . . . . 71.13 111.19 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -93.38 151.44 19.76 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.064 0.946 . . . . 71.13 111.926 -166.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 49.9 mt -60.23 129.71 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 124.517 1.127 . . . . 62.25 112.227 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -86.56 94.17 9.37 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.159 -0.682 . . . . 75.12 109.159 172.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -106.78 130.86 54.41 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 108.227 -1.027 . . . . 73.53 108.227 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 44.2 mm -65.97 116.65 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.935 0.494 . . . . 64.32 109.81 -175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 45.4 t -69.63 124.07 24.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.676 1.19 . . . . 73.25 110.363 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.53 126.28 28.83 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.663 0.785 . . . . 75.1 110.821 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 147.78 -61.8 0.44 Allowed Glycine 0 C--N 1.34 0.755 0 N-CA-C 111.145 -0.782 . . . . 51.05 111.145 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -80.04 84.11 5.82 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.649 0.78 . . . . 73.35 110.076 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.194 0 C-N-CA 124.024 0.93 . . . . 72.1 108.7 179.574 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.571 0.225 . . . . 73.11 110.513 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.28 172.79 13.3 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.811 0.844 . . . . 65.41 110.341 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.15 84.51 0.24 Allowed 'General case' 0 CA--C 1.554 1.127 0 CA-C-O 121.53 0.681 . . . . 72.3 110.912 176.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -154.72 117.42 4.35 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 106.187 -1.783 . . . . 72.2 106.187 176.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt 53.47 15.77 0.78 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 126.023 1.729 . . . . 71.41 113.358 -174.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 p -85.54 0.47 52.34 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.177 0.991 . . . . 71.23 110.597 174.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -143.08 154.05 43.55 Favored 'General case' 0 C--O 1.24 0.573 0 C-N-CA 125.199 1.4 . . . . 50.42 108.308 172.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.25 156.36 38.57 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 121.655 0.74 . . . . 71.21 112.672 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.1 t -87.44 114.54 24.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.915 1.286 . . . . 75.05 109.642 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -68.59 -38.66 80.84 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.216 0.606 . . . . 74.31 110.901 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.0 -28.85 70.09 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.701 0.801 . . . . 72.14 111.593 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -74.49 -33.25 62.8 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.393 0.677 . . . . 74.52 110.934 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -84.68 -26.2 27.92 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 122.623 0.369 . . . . 72.04 111.509 -177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -91.0 -51.74 5.19 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.957 0.503 . . . . 73.31 111.299 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.7 t -87.44 -13.51 43.04 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.299 0.64 . . . . 71.25 111.657 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 75.58 -65.51 0.32 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.08 1.352 . . . . 53.45 109.229 -175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -86.35 109.26 18.88 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.162 0.585 . . . . 71.14 109.524 170.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.0 t -70.43 132.25 45.31 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.72 0.808 . . . . 71.22 109.912 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.7 m -62.7 -37.76 87.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.811 0.845 . . . . 62.12 112.318 -172.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -75.73 -29.23 58.83 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 122.698 0.399 . . . . 71.53 110.995 177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.96 -121.58 16.79 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.219 -0.446 . . . . 60.44 112.186 -177.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.04 -14.4 61.41 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.117 0.567 . . . . 71.04 111.668 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -83.95 -0.53 51.83 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.652 0.781 . . . . 72.24 111.332 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.1 t -71.81 128.11 34.73 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.712 0.805 . . . . 73.41 110.684 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -70.52 -22.48 62.62 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.049 0.94 . . . . 65.35 112.311 -175.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -103.0 161.16 13.99 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.639 0.775 . . . . 63.12 111.098 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.08 136.4 41.16 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.698 1.199 . . . . 71.33 113.112 -170.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -98.7 85.53 3.35 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.724 0.81 . . . . 63.25 109.535 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 92.76 157.32 33.48 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 115.667 -0.697 . . . . 75.12 111.683 -174.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 16.3 t -68.05 -23.13 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 123.342 0.657 . . . . 54.11 110.486 -175.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -68.14 -37.18 80.79 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.701 -0.681 . . . . 71.14 110.966 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -85.12 -14.75 46.12 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.754 0.821 . . . . 71.4 109.225 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tt -70.7 112.52 6.99 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 108.365 -0.976 . . . . 64.23 108.365 174.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.26 112.85 24.92 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.047 -1.094 . . . . 63.42 108.047 175.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.0 150.64 95.0 Favored Pre-proline 0 CA--C 1.556 1.177 0 C-N-CA 124.552 1.141 . . . . 74.33 112.57 -171.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.18 152.37 39.87 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.504 2.136 . . . . 65.3 112.227 173.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 132' ' ' MET . 0.9 OUTLIER -92.79 56.94 2.74 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 108.412 -0.959 . . . . 74.22 108.412 176.076 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.448 ' HB2' ' HB3' ' A' ' 137' ' ' ARG . 26.0 p-10 -85.45 147.8 47.82 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 114.173 -1.376 . . . . 73.32 111.57 -169.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -80.38 168.11 18.63 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 122.406 2.071 . . . . 53.11 111.666 169.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 31.6 ptt180 -65.45 114.22 4.69 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.146 0.579 . . . . 74.41 110.124 176.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 124.79 -23.07 6.33 Favored Glycine 0 N--CA 1.47 0.912 0 CA-C-N 116.223 -0.444 . . . . 44.21 112.366 -176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.448 ' HB3' ' HB2' ' A' ' 133' ' ' ASN . 24.3 tpp180 -84.73 133.73 34.36 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.018 0.527 . . . . 74.52 109.738 174.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -66.79 146.36 54.52 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.681 0.792 . . . . 74.12 110.839 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -161.94 160.16 22.01 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 123.872 0.869 . . . . 65.43 109.974 -176.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.48 107.58 0.51 Allowed 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 121.765 1.643 . . . . 60.32 108.767 160.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -58.86 86.18 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 122.007 0.908 . . . . 70.15 112.801 -167.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.407 ' HB2' ' HB2' ' A' ' 163' ' ' GLN . 47.3 p90 -95.54 -38.7 10.31 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.043 -0.98 . . . . 72.4 110.325 -177.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -122.37 85.6 2.44 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 108.691 -0.855 . . . . 51.31 108.691 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.1 p -135.63 -47.46 0.68 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.502 1.121 . . . . 43.23 108.86 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 33.6 t -93.65 151.12 3.75 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-N 114.897 -1.047 . . . . 75.11 108.82 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.96 153.07 44.52 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.115 0.566 . . . . 73.52 110.835 176.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 43.1 t -71.76 113.94 9.32 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.602 -0.888 . . . . 75.54 108.602 171.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.42 -45.41 88.52 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.049 0.939 . . . . 73.31 112.001 -170.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.516 ' HA ' ' HE2' ' A' ' 149' ' ' LYS . 9.7 mmpt? -72.43 -41.66 65.92 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.578 -0.737 . . . . 72.44 111.577 -177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.487 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 46.9 t80 -71.18 -26.61 63.04 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 122.196 -0.315 . . . . 74.41 111.127 -177.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.8 p -82.47 -48.86 10.57 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 122.912 0.485 . . . . 54.3 111.142 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 78.5 mtm -83.65 -54.05 5.21 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.743 0.417 . . . . 73.44 111.989 -173.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 68.5 p -97.24 -8.34 30.12 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 122.704 0.401 . . . . 65.22 111.633 -175.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 80.8 -0.56 86.21 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 114.0 0.36 . . . . 74.44 114.0 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -134.74 125.64 27.4 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.613 0.765 . . . . 73.34 109.016 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 52.6 t -106.57 121.76 44.96 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.176 -0.675 . . . . 71.54 109.176 176.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -23.2 60.97 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.858 0.863 . . . . 74.53 112.261 -175.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . 0.548 ' HB2' ' HB2' ' A' ' 162' ' ' CYS . 78.8 m-85 -79.25 -32.82 43.88 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.22 0.608 . . . . 71.12 110.914 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.68 -109.38 2.72 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 116.067 -0.515 . . . . 72.13 113.341 177.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 67.7 p -72.96 -25.48 61.03 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.513 0.725 . . . . 75.23 111.014 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 74.3 mtm-85 -73.35 -21.35 60.56 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.665 -0.698 . . . . 75.23 110.871 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . 0.548 ' HB2' ' HB2' ' A' ' 158' ' ' TYR . 46.1 t -71.58 118.34 14.28 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.545 0.738 . . . . 45.31 110.792 -178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . 0.407 ' HB2' ' HB2' ' A' ' 142' ' ' TYR . 18.6 pm0 -92.18 -21.3 20.46 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.167 0.987 . . . . 62.12 110.804 -177.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -78.64 151.18 32.43 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.595 0.758 . . . . 73.53 111.416 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 30.1 mt -56.24 111.11 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 124.909 1.284 . . . . 65.25 112.838 -166.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -83.35 91.58 7.36 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 121.24 0.543 . . . . 74.1 109.61 167.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -121.2 134.46 55.2 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 123.93 0.892 . . . . 75.22 109.014 170.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 69.1 mt -72.47 99.19 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 N-CA-C 109.067 -0.716 . . . . 60.02 109.067 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 42.8 t -81.08 109.94 15.99 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 108.704 -0.851 . . . . 62.53 108.704 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -84.79 149.76 25.51 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.583 0.753 . . . . 73.43 110.587 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -72.75 -16.54 77.98 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.985 -0.552 . . . . 50.23 114.246 -175.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -95.99 150.82 20.04 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.251 0.62 . . . . 72.2 110.168 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 C-N-CA 124.003 0.921 . . . . 71.22 108.646 -179.304 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 110.883 -0.043 . . . . 64.43 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -65.91 130.26 42.66 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.216 0.606 . . . . 54.33 110.713 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.95 83.93 7.02 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 122.905 0.482 . . . . 72.43 110.48 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -117.22 83.11 1.92 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 107.801 -1.185 . . . . 71.01 107.801 171.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt 67.86 28.28 7.07 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.72 1.208 . . . . 74.01 110.969 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 65.1 p -77.87 -23.22 48.89 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 114.788 -1.096 . . . . 75.15 110.461 171.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.47 156.09 45.36 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 125.087 1.355 . . . . 73.02 108.762 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.465 HD23 ' HB3' ' A' ' 122' ' ' ALA . 98.7 mt -71.56 154.68 41.28 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.088 0.555 . . . . 70.31 111.159 179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . 44.5 t -81.18 116.64 21.17 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.032 0.933 . . . . 73.25 110.493 -175.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -60.24 -42.29 94.96 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.171 0.988 . . . . 74.13 111.244 -177.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.75 77.79 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.052 0.941 . . . . 74.14 111.869 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.429 ' HB3' ' HB3' ' A' ' 104' ' ' CYS . 78.9 t80 -74.63 -29.88 61.44 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.779 0.832 . . . . 71.32 111.055 178.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.422 ' HZ2' ' HB2' ' A' ' 108' ' ' LYS . 10.4 mtmp? -81.08 -31.49 34.36 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.419 0.288 . . . . 72.1 111.328 -178.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -91.54 -50.87 5.55 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.059 0.544 . . . . 74.41 111.895 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 27.6 t -103.87 -12.62 16.78 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.361 0.664 . . . . 74.53 111.95 -171.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 72.24 -61.48 0.49 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 125.296 1.438 . . . . 65.33 110.629 -172.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.31 114.18 8.19 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.348 0.659 . . . . 62.32 110.231 172.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.1 t -93.12 126.58 38.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.259 1.024 . . . . 61.04 109.261 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.3 m -64.69 -32.03 73.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.7 0.8 . . . . 63.41 112.106 -174.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -72.81 -32.1 65.3 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.94 0.496 . . . . 64.43 111.533 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 61.11 -111.09 3.51 Favored Glycine 0 C--N 1.352 1.422 0 O-C-N 123.581 0.55 . . . . 74.35 114.167 174.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -70.62 -32.38 69.7 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.447 0.699 . . . . 74.4 110.674 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -90.46 19.5 5.21 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.074 0.949 . . . . 73.23 111.569 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.5 t -81.68 123.39 28.68 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.584 0.754 . . . . 62.01 110.278 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -88.12 16.09 6.59 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.718 0.807 . . . . 65.31 111.446 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -132.39 149.31 52.37 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.813 0.845 . . . . 61.44 109.44 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.465 ' HB3' HD23 ' A' ' 103' ' ' LEU . . . -74.44 131.45 41.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.356 1.062 . . . . 70.14 113.779 -163.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -98.77 34.71 2.0 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.099 0.96 . . . . 74.51 110.628 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 151.63 174.7 22.64 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 115.629 -0.714 . . . . 60.32 111.762 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 21.2 t -70.84 -30.13 40.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 C-N-CA 123.336 0.654 . . . . 64.23 110.175 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -65.89 -33.35 75.63 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 115.383 -0.826 . . . . 62.44 110.791 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -83.09 -25.01 32.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.727 0.811 . . . . 73.44 111.07 175.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.3 tp -82.41 112.76 19.66 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.578 0.751 . . . . 74.02 111.405 -172.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.3 98.81 6.33 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 106.834 -1.543 . . . . 72.42 106.834 167.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.07 162.31 40.13 Favored Pre-proline 0 CA--C 1.556 1.206 0 C-N-CA 123.09 0.556 . . . . 62.41 111.315 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -45.97 122.76 5.53 Favored 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.765 2.31 . . . . 73.32 111.969 168.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 25.1 mmt -56.48 105.58 0.22 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.961 0.905 . . . . 74.41 112.274 -168.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -83.45 132.89 48.3 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-N 115.357 -0.838 . . . . 71.51 109.705 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.49 115.7 2.63 Favored 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 123.025 2.483 . . . . 62.12 112.198 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -84.07 5.31 26.47 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.337 0.655 . . . . 64.22 111.595 -176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -92.6 41.36 2.76 Favored Glycine 0 C--N 1.346 1.094 0 N-CA-C 111.95 -0.46 . . . . 61.15 111.95 171.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -69.26 119.13 13.05 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 123.761 0.824 . . . . 74.4 109.238 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -141.14 151.86 44.23 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.372 0.669 . . . . 51.25 110.054 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -130.85 85.74 54.42 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 108.425 -0.954 . . . . 74.01 108.425 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -86.99 44.04 1.08 Allowed 'Trans proline' 0 C--N 1.373 1.849 0 C-N-CA 123.349 2.699 . . . . 74.12 112.386 -176.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' A' ' 143' ' ' LYS . 56.2 tttp -71.43 146.77 48.46 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.812 0.845 . . . . 72.33 110.279 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -55.69 -39.88 71.59 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.823 0.849 . . . . 61.5 111.212 174.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.464 ' H ' ' HG2' ' A' ' 141' ' ' LYS . 47.2 mttp -101.72 91.97 4.64 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.917 0.887 . . . . 74.12 110.518 176.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 31.6 p -129.82 -43.93 1.21 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.814 0.846 . . . . 75.52 109.026 174.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 44.8 t -96.14 150.47 4.32 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 C-N-CA 124.49 1.116 . . . . 72.3 109.143 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.425 HD23 ' HB ' ' A' ' 165' ' ' ILE . 91.5 mt -70.78 160.04 33.45 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.221 0.608 . . . . 63.14 110.505 174.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 150' ' ' PHE . 24.8 t -74.76 112.7 11.24 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 109.067 -0.716 . . . . 73.43 109.067 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -70.5 -33.12 70.86 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.495 0.718 . . . . 65.3 111.365 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -63.1 -50.13 71.7 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.382 0.673 . . . . 71.3 109.888 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.525 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 57.3 t80 -67.58 -21.59 65.42 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.618 -1.174 . . . . 64.42 111.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.415 ' HA ' HG21 ' A' ' 169' ' ' VAL . 32.4 t -84.68 -44.47 13.39 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.276 0.63 . . . . 55.12 111.653 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 75.5 mtm -82.76 -46.85 12.63 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.033 0.533 . . . . 70.54 111.887 -171.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.4 p -95.89 -23.09 17.05 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.739 0.416 . . . . 55.4 110.216 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 93.88 -4.95 72.37 Favored Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.954 -0.566 . . . . 63.13 112.503 -176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -133.66 140.19 46.92 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.678 0.791 . . . . 75.22 110.995 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . 0.525 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 46.2 t -121.52 122.58 40.04 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.174 0.99 . . . . 72.41 108.898 176.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -73.39 -17.2 61.3 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.714 0.806 . . . . 33.41 112.346 -173.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -81.77 -40.16 23.06 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.163 0.585 . . . . 75.33 111.116 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.94 -113.35 5.68 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 123.384 0.428 . . . . 45.31 112.587 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 11.5 t -71.9 -16.54 62.13 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.227 0.611 . . . . 62.01 111.19 178.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -90.97 7.14 41.75 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.957 0.903 . . . . 74.23 111.725 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 41.9 t -85.42 130.3 34.62 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.303 0.641 . . . . 70.54 110.457 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -83.82 -4.03 58.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.716 0.406 . . . . 73.45 111.559 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -100.24 151.25 21.68 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.907 0.883 . . . . 70.04 110.806 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.425 ' HB ' HD23 ' A' ' 146' ' ' LEU . 33.0 mt -69.13 125.36 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.848 0.859 . . . . 74.21 111.153 -175.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -97.52 101.07 12.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.205 0.602 . . . . 75.14 110.567 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -118.19 137.19 53.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.013 0.925 . . . . 75.31 108.592 169.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 66.0 mt -67.01 104.75 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 123.286 0.634 . . . . 63.32 109.504 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.415 HG21 ' HA ' ' A' ' 151' ' ' SER . 54.0 t -72.77 117.3 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-N 115.168 -0.924 . . . . 72.54 110.403 -174.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.33 -25.77 65.28 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.592 0.757 . . . . 73.32 110.873 -178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -76.15 -30.42 57.2 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-N 115.615 -0.72 . . . . 71.23 113.428 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -156.94 100.35 1.88 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.941 0.496 . . . . 75.15 110.302 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.144 0.977 . . . . 74.33 108.605 174.737 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.155 -0.313 . . . . 50.23 110.155 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -85.06 172.73 11.04 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.331 1.053 . . . . 73.44 110.328 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.536 ' HB2' ' HG2' ' A' ' 132' ' ' MET . . . -65.94 81.55 0.08 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 121.773 0.797 . . . . 71.34 110.01 174.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -156.53 128.51 7.35 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 106.494 -1.669 . . . . 73.35 106.494 -172.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 pttp 46.24 37.13 3.75 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.671 1.589 . . . . 72.31 112.465 -175.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.9 p -88.48 -13.48 40.19 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 113.994 -1.457 . . . . 63.01 110.601 175.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -124.72 145.0 49.93 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.624 1.17 . . . . 63.3 108.4 171.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.439 HD23 ' HB3' ' A' ' 122' ' ' ALA . 78.9 mt -66.11 157.26 31.62 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.461 0.704 . . . . 72.41 112.175 -177.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 44.8 t -84.09 139.51 32.42 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.182 0.993 . . . . 71.42 111.187 -177.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -67.02 -41.13 87.13 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.168 0.987 . . . . 75.02 110.78 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.02 -25.77 61.95 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.963 0.905 . . . . 60.2 111.577 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -67.65 -32.77 73.68 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.803 0.841 . . . . 73.14 111.06 175.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -85.65 -50.91 6.82 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.12 0.568 . . . . 70.24 110.941 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -74.53 -51.15 15.51 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.506 0.722 . . . . 75.05 112.244 -173.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.8 m -105.07 -9.08 18.06 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.245 0.618 . . . . 74.34 111.829 -172.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 72.46 -59.93 0.55 Allowed 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.399 1.48 . . . . 74.4 110.732 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.35 141.02 33.18 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.564 0.746 . . . . 73.33 110.281 170.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.1 t -105.58 125.89 51.51 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.738 0.815 . . . . 74.22 109.228 176.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.8 m -69.92 -26.95 64.39 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.554 0.742 . . . . 72.54 111.884 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' ' 119' ' ' CYS . 74.1 m-85 -75.96 -33.93 59.81 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.141 0.576 . . . . 73.44 110.898 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 65.02 -107.84 2.07 Favored Glycine 0 C--N 1.349 1.28 0 O-C-N 123.502 0.501 . . . . 72.34 113.099 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -80.05 -16.58 54.78 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.177 0.591 . . . . 70.31 111.363 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -78.1 -14.9 59.31 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.076 0.55 . . . . 70.13 110.985 174.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' ' 115' ' ' TYR . 42.3 t -79.04 121.49 25.02 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.603 0.761 . . . . 75.05 109.473 176.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -94.85 27.64 3.03 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.549 0.74 . . . . 75.23 111.237 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -130.87 145.3 51.96 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.053 0.941 . . . . 72.43 109.503 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.439 ' HB3' HD23 ' A' ' 103' ' ' LEU . . . -67.06 131.09 45.12 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.029 0.932 . . . . 44.24 113.351 -167.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -97.67 47.81 1.02 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.452 1.101 . . . . 74.4 109.278 175.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 134.88 164.51 10.52 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 114.862 -1.063 . . . . 74.22 111.962 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.48 -23.83 26.77 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.008 0 C-N-CA 123.01 0.524 . . . . 61.12 111.136 -178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -62.5 -25.55 68.08 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.824 0.85 . . . . 72.44 111.908 175.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.461 ' HA ' ' NH1' ' A' ' 129' ' ' ARG . 16.4 mm-40 -107.74 -9.58 15.78 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.4 0.68 . . . . 65.34 112.234 176.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -75.75 110.86 10.53 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 108.876 -0.787 . . . . 62.14 108.876 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.461 ' NH1' ' HA ' ' A' ' 127' ' ' GLU . 10.0 mpt_? -102.78 174.84 5.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.204 1.002 . . . . 74.4 109.266 173.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 pp -88.26 146.49 38.13 Favored Pre-proline 0 CA--C 1.551 1.008 0 CA-C-N 115.543 -0.753 . . . . 72.4 109.661 171.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.51 178.84 4.02 Favored 'Trans proline' 0 C--N 1.379 2.163 0 C-N-CA 122.609 2.206 . . . . 64.22 112.687 177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.536 ' HG2' ' HB2' ' A' ' 98' ' ' ALA . 32.9 mmt -66.11 153.27 42.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.163 0.585 . . . . 74.22 111.558 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -65.41 139.7 97.43 Favored Pre-proline 0 CA--C 1.553 1.075 0 CA-C-N 115.492 -0.776 . . . . 61.22 109.66 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -45.93 116.83 1.58 Allowed 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 123.721 2.947 . . . . 60.41 114.388 -177.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -142.75 -62.64 0.42 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.668 0.787 . . . . 74.12 110.844 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -136.12 23.13 3.36 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 114.801 0.68 . . . . 74.24 114.801 -167.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.64 -76.38 0.59 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.074 -1.084 . . . . 72.21 108.074 174.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -169.42 143.84 2.92 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.749 1.22 . . . . 72.01 108.803 174.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 53.9 p-80 -84.48 160.7 56.06 Favored Pre-proline 0 N--CA 1.481 1.098 0 N-CA-C 109.196 -0.668 . . . . 71.42 109.196 173.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -70.72 81.68 1.03 Allowed 'Trans proline' 0 C--N 1.382 2.328 0 C-N-CA 121.991 1.794 . . . . 61.24 111.47 176.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -68.06 135.84 52.86 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.561 -1.199 . . . . 72.04 110.363 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -62.12 -46.61 88.25 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.654 0.782 . . . . 74.12 111.574 178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.415 ' HG2' HG12 ' A' ' 165' ' ' ILE . 39.6 ttmt -93.61 75.5 4.37 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.658 0.742 . . . . 71.12 109.582 -174.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 18.4 p -127.79 -34.2 2.2 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 114.693 -1.139 . . . . 64.31 110.295 178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 9.0 t -89.43 157.32 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 108.939 -0.763 . . . . 71.41 108.939 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 59.1 mt -69.31 155.75 39.9 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.048 0.539 . . . . 44.54 110.383 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 30.8 t -77.31 116.29 17.79 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.301 0.64 . . . . 74.21 110.481 -175.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.07 -50.1 71.89 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.983 0.913 . . . . 73.54 110.689 -175.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -60.84 -41.34 95.62 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.69 0.796 . . . . 71.31 110.831 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -67.27 -30.53 70.43 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.9 -0.591 . . . . 71.41 110.767 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.9 t -86.9 -28.99 22.47 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 123.523 0.729 . . . . 61.32 112.235 -177.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 71.1 mtm -98.11 -53.21 3.44 Favored 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 122.988 0.515 . . . . 63.22 111.649 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 41.8 p -96.57 -0.9 48.03 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.065 0.546 . . . . 72.32 111.566 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 99.03 -44.53 1.69 Allowed Glycine 0 C--N 1.349 1.302 0 CA-C-N 116.559 -0.292 . . . . 73.32 112.65 174.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -128.45 149.86 50.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.577 0.751 . . . . 74.44 109.538 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 53.0 t -78.85 121.19 24.52 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.931 0.892 . . . . 65.41 110.096 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -21.75 61.84 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.137 0.575 . . . . 74.34 111.728 -177.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -71.83 -29.67 64.66 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.424 0.69 . . . . 72.11 111.013 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.53 -115.72 7.93 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 123.769 0.668 . . . . 72.32 113.199 177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.9 t -83.57 -7.04 59.59 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.442 0.697 . . . . 74.24 111.507 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -98.23 12.26 35.23 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 123.7 0.8 . . . . 73.34 111.001 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 46.9 t -67.55 152.1 46.23 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.61 0.764 . . . . 52.33 112.52 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -116.08 2.79 13.47 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.033 0.933 . . . . 74.24 111.456 -176.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -129.53 151.45 50.14 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.817 0.847 . . . . 73.52 110.749 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.415 HG12 ' HG2' ' A' ' 143' ' ' LYS . 30.1 mt -64.29 124.27 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 124.231 1.012 . . . . 73.32 111.645 -173.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -86.24 95.83 9.74 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.394 0.678 . . . . 70.32 109.363 173.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -97.75 121.31 39.52 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 109.48 -0.563 . . . . 74.01 109.48 173.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.36 121.64 16.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 123.778 0.831 . . . . 72.24 109.325 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.85 119.69 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 C-N-CA 123.903 0.881 . . . . 72.11 110.77 -174.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -76.9 -31.58 56.83 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.933 0.893 . . . . 74.55 110.901 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -88.57 -119.03 1.56 Allowed Glycine 0 C--N 1.349 1.278 0 N-CA-C 111.388 -0.685 . . . . 74.3 111.388 175.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -158.42 168.24 27.5 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.468 0.707 . . . . 64.11 109.805 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.259 0 C-N-CA 123.456 0.703 . . . . 62.2 109.462 -179.702 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 110.149 -0.315 . . . . 55.21 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -89.06 168.03 12.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.523 0.729 . . . . 73.01 110.32 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.37 68.23 9.61 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.58 0.705 . . . . 70.34 109.945 176.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -126.8 128.37 46.48 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.923 0.889 . . . . 54.32 110.016 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.2 mttt 60.32 27.91 17.5 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.259 1.423 . . . . 74.04 112.96 166.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.1 p -72.03 -26.5 62.22 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.194 0.998 . . . . 63.44 111.195 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.88 162.48 29.55 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.712 1.205 . . . . 73.32 108.745 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.44 156.61 38.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.215 0.606 . . . . 71.43 111.764 -177.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 51.5 t -91.09 119.68 31.43 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.685 1.194 . . . . 64.1 110.685 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -61.13 -43.6 98.64 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.525 0.73 . . . . 72.54 110.638 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.54 -34.37 70.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.845 0.858 . . . . 73.11 112.052 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -73.05 -35.8 66.79 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.122 0.569 . . . . 63.44 110.588 176.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -81.17 -27.68 35.31 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 112.009 0.374 . . . . 71.14 112.009 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -90.91 -51.02 5.56 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.928 0.491 . . . . 75.24 111.024 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.0 m -113.12 -5.04 13.73 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.049 0.759 . . . . 64.13 113.049 -169.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 69.6 -71.35 0.12 Allowed 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.063 1.345 . . . . 54.42 111.129 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.93 96.18 1.66 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.173 0.589 . . . . 75.23 110.324 176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 23.3 t -72.96 127.19 31.83 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.2 1.0 . . . . 64.5 110.054 177.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.7 t -64.69 -31.66 72.99 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.924 0.89 . . . . 74.1 112.109 -173.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -70.91 -35.31 72.23 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.025 0.53 . . . . 71.32 111.656 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.0 -109.09 2.34 Favored Glycine 0 C--N 1.351 1.415 0 O-C-N 123.286 0.366 . . . . 75.02 113.19 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.43 -28.63 59.43 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.641 0.777 . . . . 71.44 110.954 177.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -76.52 -2.35 31.87 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.486 0.715 . . . . 61.44 111.889 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 12.5 t -69.96 127.27 32.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.587 0.755 . . . . 55.13 110.733 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -88.12 11.35 16.47 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.779 0.832 . . . . 72.12 111.273 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -133.43 152.04 51.87 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.336 1.054 . . . . 64.0 109.984 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.56 137.4 37.14 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.52 1.128 . . . . 72.31 112.366 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -97.86 28.68 3.76 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.138 0.975 . . . . 70.05 109.972 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 167.56 162.08 18.54 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 115.572 -0.74 . . . . 72.23 111.336 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.41 -24.35 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.467 0.707 . . . . 74.05 110.945 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -64.19 -34.43 78.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.659 1.184 . . . . 72.12 111.109 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -93.07 2.85 56.55 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.718 -0.674 . . . . 63.32 112.28 -175.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 39.1 mt -74.72 111.32 9.8 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.368 -0.604 . . . . 65.31 109.368 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -98.03 102.84 14.7 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.212 -1.032 . . . . 74.43 108.212 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 pp -64.62 150.37 94.07 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 123.09 0.556 . . . . 74.35 110.686 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.89 99.63 0.33 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.024 1.816 . . . . 73.44 111.288 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -63.85 90.62 0.06 Allowed 'General case' 0 C--N 1.352 0.711 0 CA-C-N 115.631 -0.713 . . . . 64.11 110.317 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -81.12 153.89 72.19 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 124.444 1.098 . . . . 75.11 110.269 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.26 175.02 1.63 Allowed 'Trans proline' 0 C--N 1.379 2.159 0 C-N-CA 123.009 2.473 . . . . 74.44 113.573 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 64.52 77.64 0.31 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.797 1.239 . . . . 62.44 109.898 -176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.96 -75.65 0.48 Allowed Glycine 0 C--N 1.347 1.146 0 CA-C-N 115.413 -0.812 . . . . 73.21 113.15 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -127.45 139.82 52.57 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.569 -0.9 . . . . 72.44 108.569 178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -83.94 84.63 7.52 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.76 -0.459 . . . . 73.11 109.76 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -99.71 113.31 64.96 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 123.573 0.749 . . . . 74.45 109.577 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -73.29 86.48 1.14 Allowed 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.824 2.349 . . . . 62.34 111.28 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -77.01 147.76 36.61 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.647 -0.706 . . . . 72.43 109.851 177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.524 ' HB2' ' HB2' ' A' ' 163' ' ' GLN . 14.0 p90 -56.51 -42.15 77.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.682 0.793 . . . . 64.34 111.961 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.403 ' HE2' HG12 ' A' ' 165' ' ' ILE . 1.0 OUTLIER -96.17 15.09 21.86 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.214 -0.448 . . . . 65.54 111.513 -173.391 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 76.3 p -111.72 -25.77 9.33 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.94 0.496 . . . . 75.54 110.125 170.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.36 142.78 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.63 0.772 . . . . 72.34 109.835 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 167' ' ' LYS . 81.0 mt -77.43 160.0 29.03 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.739 0.815 . . . . 75.24 111.548 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 54.1 t -82.77 115.6 21.76 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.225 1.01 . . . . 75.5 109.291 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.84 -53.64 55.54 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.825 0.85 . . . . 75.04 111.234 -175.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.441 ' HE2' ' HE3' ' A' ' 157' ' ' LYS . 32.3 mmmt -59.16 -45.46 90.93 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 115.366 -0.834 . . . . 73.55 111.418 -177.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.41 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 34.8 t80 -75.98 -29.23 58.14 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 115.997 -0.547 . . . . 65.23 110.859 -172.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 63.9 m -73.28 -32.67 64.79 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.798 0.439 . . . . 74.51 111.305 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 72.7 mtm -88.44 -52.76 5.01 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.84 0.456 . . . . 60.32 111.746 -174.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 61.5 p -98.22 -27.12 14.3 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.091 0.556 . . . . 60.14 111.876 -173.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 92.58 4.76 65.51 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-N 116.304 -0.407 . . . . 62.22 112.292 -171.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -136.23 138.83 42.25 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.125 0.97 . . . . 62.31 110.035 -178.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 47.2 t -121.77 124.25 43.74 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.908 0.883 . . . . 71.54 109.684 177.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.441 ' HE3' ' HE2' ' A' ' 149' ' ' LYS . 18.3 ptpt -67.79 -24.65 65.33 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.772 0.829 . . . . 74.51 112.492 -176.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -78.47 -24.61 45.88 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.174 0.59 . . . . 74.42 110.886 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 64.15 -124.63 30.51 Favored Glycine 0 C--N 1.351 1.361 0 O-C-N 123.558 0.536 . . . . 61.41 113.234 177.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 43.4 p -71.99 -20.74 61.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.401 0.68 . . . . 74.22 111.669 178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -82.04 -1.49 48.6 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.477 0.711 . . . . 75.43 111.95 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.36 123.1 20.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.134 0.574 . . . . 75.0 110.309 175.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . 0.524 ' HB2' ' HB2' ' A' ' 142' ' ' TYR . 11.4 pt20 -77.08 -32.01 56.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.555 0.742 . . . . 75.24 111.502 -177.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -83.47 148.02 27.49 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.203 0.601 . . . . 73.23 111.238 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.403 HG12 ' HE2' ' A' ' 143' ' ' LYS . 59.0 mt -58.63 118.09 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.716 1.206 . . . . 72.14 111.7 -174.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -76.07 92.27 3.18 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.733 0.778 . . . . 75.11 109.712 169.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.41 ' HB2' HD22 ' A' ' 146' ' ' LEU . 28.1 tptp -95.91 125.68 40.64 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 114.275 -1.329 . . . . 63.4 108.213 175.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 41.2 mm -65.38 136.37 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 108.909 -0.774 . . . . 74.44 108.909 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 84.4 t -54.42 118.06 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 123.956 0.902 . . . . 71.1 111.287 -173.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -92.71 56.33 2.63 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.634 0.773 . . . . 73.25 110.055 -176.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -87.63 66.39 3.41 Favored Glycine 0 C--N 1.347 1.149 0 CA-C-N 115.538 -0.756 . . . . 45.33 111.962 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -75.12 102.78 5.04 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.351 0.66 . . . . 74.11 109.883 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.087 0 C-N-CA 123.899 0.879 . . . . 62.34 110.239 178.14 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.0 p . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 111.731 0.271 . . . . 73.32 111.731 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -75.12 141.15 43.77 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.049 0.54 . . . . 70.12 110.599 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -99.27 13.38 33.3 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.038 0.935 . . . . 72.21 111.941 -178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -78.23 123.51 27.01 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.865 -0.791 . . . . 72.2 108.865 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.0 pttp 47.83 47.19 18.47 Favored 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 126.195 1.798 . . . . 72.5 113.104 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.402 HG21 ' HB3' ' A' ' 131' ' ' PRO . 35.0 p -97.41 -10.7 24.97 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 114.478 -1.237 . . . . 73.25 111.072 175.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.17 145.02 51.79 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.785 1.234 . . . . 75.4 108.857 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.02 149.95 22.02 Favored 'General case' 0 N--CA 1.485 1.289 0 N-CA-C 113.632 0.975 . . . . 73.43 113.632 -173.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 107' ' ' TYR . 36.3 t -84.91 113.68 21.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 114.586 -1.188 . . . . 71.03 108.998 178.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.3 -33.4 72.31 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.915 0.886 . . . . 64.22 110.838 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.41 -34.5 76.12 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.428 0.691 . . . . 54.13 111.579 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.416 ' HB3' ' HB3' ' A' ' 104' ' ' CYS . 77.6 t80 -72.55 -31.41 65.25 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.844 0.857 . . . . 70.44 111.019 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -77.78 -52.82 8.31 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.125 -0.489 . . . . 64.43 111.114 -178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -82.31 -49.99 9.44 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.124 0.569 . . . . 64.54 111.218 -171.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 m -101.42 -20.72 15.03 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.306 0.643 . . . . 54.13 111.989 -172.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 61.25 27.54 17.23 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.539 1.135 . . . . 54.12 111.381 -173.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.71 122.13 7.89 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.056 0.942 . . . . 75.34 109.176 -177.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 50.8 t -119.75 126.17 50.4 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.695 0.798 . . . . 62.21 109.213 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 m -74.84 -19.08 60.32 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.659 0.784 . . . . 74.52 111.98 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -83.1 -18.61 38.95 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.355 0.662 . . . . 71.53 111.595 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 66.57 -135.38 33.33 Favored Glycine 0 C--N 1.35 1.355 0 O-C-N 123.431 0.457 . . . . 52.04 113.143 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -70.4 -21.19 62.88 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.231 0.612 . . . . 75.44 111.299 176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -81.02 5.68 15.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.392 0.677 . . . . 75.44 111.596 178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 51.2 t -63.41 132.85 52.77 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.994 0.917 . . . . 74.03 110.879 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -83.96 9.06 13.21 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.391 0.677 . . . . 61.22 111.507 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -127.74 140.83 51.82 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.021 0.928 . . . . 63.34 109.693 175.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -69.0 133.2 47.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.846 1.258 . . . . 70.31 112.976 -171.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -95.04 46.0 1.11 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.753 0.821 . . . . 73.4 110.788 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.53 173.33 13.35 Favored Glycine 0 C--N 1.344 0.994 0 CA-C-N 115.984 -0.553 . . . . 73.34 112.555 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.78 -25.07 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.267 0.627 . . . . 72.14 111.007 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -69.78 -26.78 64.44 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.545 0.738 . . . . 70.42 110.782 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -91.18 -12.13 36.29 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.377 0.671 . . . . 72.31 111.962 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 71.8 mt -75.25 110.34 9.51 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.19 0.519 . . . . 64.11 110.371 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.94 149.33 41.77 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 107.388 -1.338 . . . . 75.3 107.388 169.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.51 143.74 55.8 Favored Pre-proline 0 CA--C 1.556 1.209 0 N-CA-C 110.354 -0.239 . . . . 75.24 110.354 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.402 ' HB3' HG21 ' A' ' 101' ' ' THR . 42.4 Cg_endo -91.36 21.87 0.75 Allowed 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 123.727 2.951 . . . . 74.1 112.949 -176.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 132' ' ' MET . 0.3 OUTLIER 60.76 47.37 8.03 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.742 1.217 . . . . 75.52 110.241 -176.595 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -65.96 151.8 94.6 Favored Pre-proline 0 CA--C 1.556 1.202 0 CA-C-N 113.708 -1.587 . . . . 72.54 110.768 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.19 142.63 45.01 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 123.638 2.892 . . . . 44.34 114.386 -175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -77.68 93.98 4.35 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.62 -0.881 . . . . 73.44 108.62 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -125.6 43.55 1.36 Allowed Glycine 0 C--N 1.34 0.761 0 N-CA-C 111.123 -0.791 . . . . 71.43 111.123 175.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -139.2 123.83 18.45 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.986 0.914 . . . . 71.41 109.469 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -91.81 155.75 18.01 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.397 0.679 . . . . 72.01 111.018 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 56.3 p-80 -109.26 160.96 25.66 Favored Pre-proline 0 N--CA 1.482 1.143 0 C-N-CA 123.833 0.853 . . . . 73.43 109.807 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.3 91.78 0.09 OUTLIER 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.568 2.179 . . . . 62.2 111.741 169.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -100.17 105.67 17.3 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.862 0.865 . . . . 53.22 109.669 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -135.74 -40.25 0.7 Allowed 'General case' 0 C--O 1.242 0.666 0 C-N-CA 123.927 0.891 . . . . 74.55 109.793 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -84.6 52.66 2.44 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 121.638 0.732 . . . . 71.23 109.465 171.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 41.2 p -118.55 -32.0 4.72 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.933 1.293 . . . . 65.53 108.782 175.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 45.4 t -85.31 141.87 13.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 C-N-CA 123.858 0.863 . . . . 73.04 109.369 175.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 67.7 mt -76.19 155.53 34.45 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.776 0.43 . . . . 61.33 110.782 178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 25.8 t -81.03 115.94 20.74 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.703 0.801 . . . . 74.32 110.634 -176.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.35 -40.75 97.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.675 1.19 . . . . 63.34 110.738 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -61.94 -50.57 71.6 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.818 0.847 . . . . 61.21 110.863 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . 0.43 ' HB2' ' HB2' ' A' ' 156' ' ' CYS . 33.1 t80 -68.65 -27.72 66.25 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.939 0.896 . . . . 72.03 110.298 -176.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.496 ' HA ' HG21 ' A' ' 169' ' ' VAL . 46.8 t -71.92 -45.52 60.9 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.65 0.78 . . . . 74.43 111.387 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 56.4 mtm -81.31 -53.59 6.2 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.605 0.362 . . . . 72.45 111.917 -173.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 72.8 p -96.47 -0.78 48.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.984 -0.553 . . . . 75.42 111.887 -168.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 93.1 -44.58 2.49 Favored Glycine 0 C--N 1.349 1.267 0 N-CA-C 112.427 -0.269 . . . . 71.13 112.427 179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -122.39 157.65 31.41 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.855 0.862 . . . . 74.11 110.119 177.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . 0.43 ' HB2' ' HB2' ' A' ' 150' ' ' PHE . 42.9 t -100.98 122.74 44.05 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.986 0.915 . . . . 71.34 109.075 177.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -66.0 -25.3 67.02 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.252 0.621 . . . . 60.03 111.889 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -67.71 -34.22 76.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.595 0.758 . . . . 72.21 110.832 176.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 68.7 -127.68 22.99 Favored Glycine 0 C--N 1.35 1.348 0 O-C-N 123.701 0.625 . . . . 51.31 112.807 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 36.7 p -77.79 -4.8 48.27 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.035 0.534 . . . . 73.35 111.521 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -88.98 3.75 50.53 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.328 0.651 . . . . 61.52 110.976 172.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 41.9 t -81.19 143.73 32.13 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.411 0.684 . . . . 74.11 110.351 176.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -104.57 16.07 26.81 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.78 0.832 . . . . 70.35 110.965 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -126.98 150.65 49.3 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.102 0.961 . . . . 64.4 110.731 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.15 129.98 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.067 0.947 . . . . 73.53 111.403 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -104.27 94.81 5.55 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.927 0.891 . . . . 63.2 109.496 174.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -112.64 131.23 55.73 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 108.364 -0.976 . . . . 64.21 108.364 171.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 2.0 mp -67.55 112.14 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 123.514 0.726 . . . . 71.2 109.118 -174.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . 0.496 HG21 ' HA ' ' A' ' 151' ' ' SER . 60.1 t -64.88 131.98 30.69 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 124.435 1.094 . . . . 73.14 111.357 -171.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -139.11 -50.75 0.53 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.172 0.989 . . . . 73.32 109.391 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -76.5 76.11 1.55 Allowed Glycine 0 C--N 1.346 1.119 0 CA-C-N 115.637 -0.71 . . . . 73.13 112.253 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -75.67 -18.33 59.67 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.09 0.956 . . . . 73.34 111.945 -177.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 C-N-CA 124.184 0.994 . . . . 63.32 108.828 -179.87 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.422 ' HB3' ' SD ' ' A' ' 132' ' ' MET . 53.0 p . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.602 -0.518 . . . . 74.42 109.602 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -87.1 171.74 10.48 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.241 1.016 . . . . 62.02 110.602 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.84 -17.85 52.24 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.024 0.53 . . . . 71.24 110.712 168.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -74.2 132.44 42.18 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.153 0.981 . . . . 53.24 112.339 -176.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.53 ' HB2' ' HB2' ' A' ' 129' ' ' ARG . 29.5 mmtp 65.36 17.92 11.15 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.345 1.858 . . . . 63.01 112.243 169.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 p -70.86 -34.32 71.51 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.739 0.816 . . . . 42.35 112.194 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -128.53 160.59 31.86 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 124.069 0.948 . . . . 63.34 109.293 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.1 152.48 42.32 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.181 0.515 . . . . 52.13 111.17 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.3 t -86.38 111.27 20.33 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 124.348 1.059 . . . . 61.31 109.647 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.86 -45.51 93.48 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.928 0.891 . . . . 73.12 110.17 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.83 74.6 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 124.323 1.015 . . . . 72.43 111.753 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -64.38 -62.52 1.55 Allowed 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 115.598 -0.728 . . . . 64.33 110.216 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -64.51 -37.29 87.03 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.58 0.752 . . . . 74.13 113.011 -168.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -66.8 -33.93 76.69 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.067 0.547 . . . . 63.0 111.737 -175.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 71.3 p -113.43 -1.3 14.21 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.321 0.649 . . . . 72.2 111.901 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 67.76 19.2 9.7 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 125.271 1.428 . . . . 74.42 112.139 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.47 140.68 6.11 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.7 1.2 . . . . 65.52 109.256 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 42.7 t -104.83 126.75 52.22 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 109.33 -0.619 . . . . 52.32 109.33 178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 p -65.28 -36.44 84.11 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.775 0.83 . . . . 74.15 111.616 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -71.62 -39.83 70.19 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 123.652 0.781 . . . . 74.33 110.823 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 62.86 -98.97 0.23 Allowed Glycine 0 C--N 1.348 1.218 0 CA-C-N 115.714 -0.675 . . . . 64.12 113.029 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -79.32 -22.73 44.14 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.366 0.667 . . . . 62.11 111.294 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -87.94 10.66 18.05 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.181 0.592 . . . . 74.41 111.445 176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 47.6 t -85.52 134.67 34.02 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.085 0.554 . . . . 75.42 110.029 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -91.55 -2.77 57.04 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.65 0.78 . . . . 73.4 111.91 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -115.15 153.07 31.47 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.516 0.726 . . . . 73.31 110.361 178.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.77 141.18 46.28 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.967 0.907 . . . . 72.42 112.237 -174.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -101.86 29.53 4.93 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.96 0.904 . . . . 72.41 111.151 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 165.81 165.57 23.37 Favored Glycine 0 C--N 1.339 0.709 0 CA-C-N 115.617 -0.72 . . . . 62.14 111.495 179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.98 -37.13 78.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 123.291 0.636 . . . . 74.43 109.827 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -66.96 -28.29 68.16 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 114.862 -1.063 . . . . 73.01 110.968 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 -13.65 47.08 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.855 1.262 . . . . 73.02 110.491 -174.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.15 123.9 19.78 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.839 0.856 . . . . 72.25 112.601 -178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.53 ' HB2' ' HB2' ' A' ' 100' ' ' LYS . 0.1 OUTLIER -111.35 74.2 0.86 Allowed 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 106.608 -1.627 . . . . 63.52 106.608 161.62 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.9 pp -73.98 153.69 88.81 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 115.645 -0.707 . . . . 61.21 110.819 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -69.71 145.69 58.22 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.13 1.887 . . . . 72.22 111.239 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 132' ' ' MET . 0.9 OUTLIER -79.11 75.41 5.64 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.614 0.721 . . . . 53.34 109.108 -176.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -133.85 111.7 12.35 Favored Pre-proline 0 N--CA 1.472 0.631 0 CA-C-N 114.804 -1.089 . . . . 71.05 108.981 -173.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.86 163.81 34.78 Favored 'Trans proline' 0 C--N 1.372 1.764 0 C-N-CA 122.591 2.194 . . . . 63.55 111.47 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 7.8 tpm_? -72.95 91.39 1.54 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.384 0.612 . . . . 64.55 110.382 -175.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -130.35 150.22 19.14 Favored Glycine 0 C--N 1.34 0.786 0 CA-C-N 114.879 -1.055 . . . . 75.34 111.057 177.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -159.81 136.94 9.49 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 123.336 0.654 . . . . 74.32 109.496 -175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -77.54 77.8 4.06 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.241 -1.022 . . . . 42.13 108.241 169.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -77.19 144.71 71.79 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 114.771 -1.104 . . . . 71.11 110.559 -176.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -70.81 87.18 0.69 Allowed 'Trans proline' 0 C--N 1.376 2.021 0 C-N-CA 122.497 2.132 . . . . 75.14 112.202 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.594 ' HB3' HG23 ' A' ' 144' ' ' THR . 38.5 ttpt -98.38 154.65 17.69 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.331 1.053 . . . . 64.35 108.628 173.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -36.89 71.72 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 122.988 0.515 . . . . 73.55 111.704 -178.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -105.77 66.31 0.73 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.584 0.707 . . . . 73.14 110.501 176.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.594 HG23 ' HB3' ' A' ' 141' ' ' LYS . 45.9 p -127.74 -3.15 5.96 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.122 0.969 . . . . 52.14 109.745 163.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 92.2 t -124.93 141.87 43.63 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.603 1.161 . . . . 63.22 108.885 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.0 mt -72.17 160.6 32.17 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.662 0.785 . . . . 74.42 111.148 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 12.8 t -72.43 115.0 11.17 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 123.634 0.774 . . . . 60.33 110.89 -177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.47 -32.38 73.96 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.986 0.914 . . . . 74.33 110.825 -177.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -71.72 -40.17 69.64 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.612 -0.722 . . . . 73.24 110.985 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -70.72 -30.58 67.16 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.942 -177.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.7 p -85.82 -51.73 6.21 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.403 0.681 . . . . 62.41 111.621 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.0 mtm -81.29 -52.65 7.08 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.72 0.408 . . . . 52.44 111.702 -173.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 82.7 p -96.6 -1.48 46.81 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 122.582 0.353 . . . . 63.02 111.525 -174.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 94.53 -43.02 2.37 Favored Glycine 0 C--N 1.35 1.334 0 CA-C-N 116.258 -0.428 . . . . 52.24 113.88 169.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -128.11 161.6 28.86 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 117.098 0.449 . . . . 61.1 110.962 -175.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 49.5 t -121.05 121.95 39.03 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.411 1.085 . . . . 64.51 108.731 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -78.82 -28.44 44.43 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.25 0.62 . . . . 74.01 111.896 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -72.66 -41.78 65.04 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.087 0.555 . . . . 73.31 111.171 -175.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 65.79 -103.23 0.8 Allowed Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.732 -0.667 . . . . 64.44 112.495 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 12.9 t -73.69 -21.12 60.34 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.708 0.803 . . . . 61.13 111.273 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -88.23 -0.75 57.47 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.723 0.809 . . . . 73.12 111.457 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.47 141.81 37.97 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.273 0.629 . . . . 64.01 109.97 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 20.4 pm0 -97.71 -12.84 21.88 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.336 0.655 . . . . 73.01 111.517 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -97.56 150.96 20.54 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.912 0.885 . . . . 74.34 110.543 178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 56.4 mt -60.2 127.37 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.978 0.911 . . . . 64.34 111.279 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -93.04 94.65 8.99 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.331 -0.618 . . . . 74.53 109.331 170.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -107.89 129.85 55.06 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 108.384 -0.969 . . . . 71.12 108.384 173.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 41.6 mm -71.49 98.66 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 108.568 -0.901 . . . . 75.15 108.568 178.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 59.2 t -80.21 110.11 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.185 -0.672 . . . . 74.05 109.185 -179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -96.55 106.28 18.51 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.355 -0.98 . . . . 74.41 108.355 176.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 81.58 89.24 0.61 Allowed Glycine 0 C--N 1.344 1.008 0 O-C-N 123.544 0.527 . . . . 74.21 111.831 -175.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -74.04 -41.29 62.01 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.354 0.661 . . . . 74.15 111.232 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 C-N-CA 123.298 0.639 . . . . 75.24 110.142 -178.552 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 110.501 -0.185 . . . . 71.31 110.501 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -80.6 162.78 24.08 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.813 0.845 . . . . 64.14 109.849 173.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.01 92.22 1.28 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.292 0.637 . . . . 41.4 111.185 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -125.04 110.65 14.44 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.845 0.858 . . . . 73.2 110.24 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 127' ' ' GLU . 72.2 mmtt 70.82 -9.29 0.84 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.489 1.515 . . . . 52.24 114.162 166.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.4 p -72.71 -10.84 60.26 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.872 0.869 . . . . 53.4 111.806 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.11 149.7 46.18 Favored 'General case' 0 C--O 1.24 0.592 0 C-N-CA 124.739 1.215 . . . . 71.04 108.642 173.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 122' ' ' ALA . 82.0 mt -75.55 159.15 31.57 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.685 0.794 . . . . 63.21 111.492 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 38.0 t -81.81 122.7 28.04 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 114.568 -1.197 . . . . 72.24 109.841 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -61.81 -38.79 89.44 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.56 0.744 . . . . 62.11 111.652 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.69 83.42 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.896 0.878 . . . . 70.43 110.848 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -70.44 -40.67 73.64 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.694 0.798 . . . . 63.24 111.307 177.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -71.21 -39.65 71.63 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.512 0.325 . . . . 60.14 111.71 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -90.63 -51.12 5.55 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.047 0.539 . . . . 74.54 111.745 -174.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.0 m -111.65 -16.56 13.21 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.299 0.64 . . . . 74.44 112.359 -169.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 75.08 -46.88 0.6 Allowed 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 126.189 1.796 . . . . 75.13 111.912 -173.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.23 112.86 7.71 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.445 0.698 . . . . 53.11 111.17 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 51.8 t -99.33 126.79 45.26 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.127 0.971 . . . . 64.3 109.437 176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.1 t -65.96 -38.71 89.27 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.856 0.862 . . . . 64.2 111.774 -176.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -73.56 -30.87 63.32 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.869 0.468 . . . . 74.23 111.019 -179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 68.63 -119.51 10.15 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 116.05 -0.523 . . . . 74.54 112.764 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -79.35 -7.45 58.36 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.017 0.527 . . . . 74.34 111.747 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -91.41 1.56 57.03 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.179 0.592 . . . . 74.52 110.9 173.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.6 t -74.34 122.82 23.51 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.107 0.963 . . . . 72.52 109.807 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.457 ' HD3' ' H ' ' A' ' 120' ' ' ARG . 0.0 OUTLIER -73.2 -25.82 60.92 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.569 0.348 . . . . 73.52 111.58 -178.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -88.34 158.96 18.27 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.944 0.497 . . . . 70.22 111.208 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.455 ' HB3' HD23 ' A' ' 103' ' ' LEU . . . -77.7 138.17 38.91 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.287 1.035 . . . . 52.33 112.943 -168.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -105.46 43.87 1.08 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.732 0.813 . . . . 63.45 110.177 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.14 169.19 13.9 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 115.412 -0.813 . . . . 64.4 111.917 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.26 -23.87 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 123.255 0.622 . . . . 70.13 111.095 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -66.31 -31.43 72.23 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.623 0.769 . . . . 74.44 110.888 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 100' ' ' LYS . 49.7 mt-10 -92.39 -24.96 18.71 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.742 0.817 . . . . 63.31 111.075 174.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 43.0 tp -70.38 114.26 8.33 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.208 0.527 . . . . 73.12 110.898 -174.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 -97.84 140.67 31.86 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 124.574 1.149 . . . . 71.25 108.828 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.5 pp -79.78 137.24 54.43 Favored Pre-proline 0 CA--C 1.55 0.945 0 N-CA-C 109.727 -0.471 . . . . 74.03 109.727 175.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.83 124.42 14.93 Favored 'Trans proline' 0 C--N 1.374 1.913 0 C-N-CA 122.951 2.434 . . . . 73.35 111.772 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 24.5 mmt -78.57 110.5 13.73 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.034 0.534 . . . . 74.43 109.987 -177.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -146.02 155.97 51.19 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 123.836 0.854 . . . . 72.41 109.996 -176.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.86 117.77 4.61 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 122.486 2.124 . . . . 64.0 110.822 170.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -67.33 134.38 51.42 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.443 0.697 . . . . 60.24 110.656 -175.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -111.06 28.77 9.42 Favored Glycine 0 C--N 1.345 1.06 0 O-C-N 123.197 0.311 . . . . 63.32 113.391 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -103.48 139.65 38.55 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.415 0.686 . . . . 73.55 109.841 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -81.18 125.01 29.75 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.981 0.512 . . . . 75.51 110.164 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 -138.13 160.25 64.99 Favored Pre-proline 0 N--CA 1.478 0.931 0 C-N-CA 124.142 0.977 . . . . 74.44 108.915 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.48 84.22 0.21 Allowed 'Trans proline' 0 C--N 1.383 2.379 0 C-N-CA 122.529 2.153 . . . . 73.22 112.131 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -81.56 78.66 8.28 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.87 0.868 . . . . 74.33 109.431 176.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -63.29 -49.71 72.95 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 114.638 -1.164 . . . . 73.31 110.145 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.573 ' HB3' HG12 ' A' ' 165' ' ' ILE . 32.8 mmtp -83.88 97.39 9.19 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 108.325 -0.991 . . . . 72.42 108.325 172.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 2.5 t -127.72 -48.68 1.38 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.355 0.662 . . . . 74.43 111.759 -174.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 43.8 t -100.39 140.94 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 109.008 -0.738 . . . . 74.24 109.008 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.84 152.39 44.61 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.329 0.651 . . . . 74.33 111.812 -177.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 15.0 t -84.66 115.43 22.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.84 0.856 . . . . 75.55 109.294 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.16 -48.43 81.61 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 124.112 0.965 . . . . 73.14 110.552 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -70.78 -40.88 72.33 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.108 -0.951 . . . . 73.41 111.45 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -69.56 -25.98 64.26 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 122.209 0.204 . . . . 61.35 110.858 -176.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.8 p -86.78 -42.81 13.01 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 123.193 0.597 . . . . 62.54 111.693 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 59.8 mtm -85.15 -54.24 4.75 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.023 0.379 . . . . 63.23 112.023 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 62.7 p -96.26 -18.52 19.97 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.957 0.503 . . . . 62.52 110.7 -173.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 98.37 -23.7 35.06 Favored Glycine 0 C--N 1.345 1.077 0 CA-C-N 115.94 -0.573 . . . . 61.52 113.035 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -124.87 132.24 53.34 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.099 0.559 . . . . 63.11 110.864 -171.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 35.4 t -110.98 122.84 48.9 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.488 1.115 . . . . 65.11 108.816 175.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -68.77 -30.72 69.38 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.781 0.832 . . . . 74.34 112.214 -174.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -73.19 -40.26 64.92 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.321 0.648 . . . . 74.24 110.768 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 63.04 -101.92 0.47 Allowed Glycine 0 C--N 1.348 1.225 0 CA-C-N 115.584 -0.735 . . . . 41.44 112.706 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.7 p -81.29 -7.19 59.53 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.733 0.813 . . . . 72.32 111.918 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -96.3 -4.56 41.93 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.51 0.724 . . . . 72.31 111.132 173.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . . . . . . . . . 53.1 t -79.49 117.22 20.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.196 0.598 . . . . 51.11 110.127 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.42 -18.12 60.7 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.321 0.648 . . . . 75.11 111.453 178.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -81.13 149.15 29.28 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.967 0.907 . . . . 73.23 111.854 -177.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.573 HG12 ' HB3' ' A' ' 143' ' ' LYS . 50.9 mt -64.86 112.71 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.49 1.116 . . . . 60.12 110.725 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -73.37 93.02 1.88 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.672 0.748 . . . . 64.35 109.562 170.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -121.2 135.69 55.1 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.086 -1.415 . . . . 75.41 110.299 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 45.3 mm -101.3 130.61 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 108.233 -1.025 . . . . 71.13 108.233 169.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.29 126.91 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.312 0.645 . . . . 64.22 110.516 -177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -65.21 120.07 12.04 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.869 0.867 . . . . 73.34 111.089 -175.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 132.45 -118.71 2.29 Favored Glycine 0 C--N 1.344 1.007 0 N-CA-C 110.879 -0.889 . . . . 75.44 110.879 -178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -123.3 101.86 7.6 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.928 0.891 . . . . 64.35 108.676 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 C-N-CA 123.813 0.845 . . . . 73.41 109.295 -176.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.5 t . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.474 -0.195 . . . . 75.01 110.474 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -57.1 135.16 56.34 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 124.157 0.983 . . . . 72.21 112.596 -169.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 77.98 -32.0 0.17 Allowed 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 126.229 1.811 . . . . 62.1 113.287 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -86.45 94.87 9.51 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 109.159 -0.682 . . . . 75.02 109.159 -177.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 128' ' ' LEU . 54.0 mtmt 69.55 9.0 7.05 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.538 1.535 . . . . 64.21 113.548 174.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.5 p -73.63 -16.33 61.23 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.947 0.499 . . . . 74.54 111.115 174.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.04 158.02 45.42 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.421 1.089 . . . . 71.42 108.958 176.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.3 mt -76.79 151.78 35.83 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.973 0.509 . . . . 74.35 111.072 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 25.2 t -77.45 122.11 24.75 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.245 1.018 . . . . 54.01 108.921 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 109' ' ' ARG . 28.2 t70 -65.4 -42.8 92.22 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.839 0.456 . . . . 54.23 110.816 -176.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.76 -32.27 65.44 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.329 1.052 . . . . 42.44 112.039 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -68.25 -40.86 81.83 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.58 0.752 . . . . 71.02 110.557 176.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -73.4 -24.29 60.27 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 116.385 -0.37 . . . . 74.22 111.483 -176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 105' ' ' ASP . 30.9 mmt180 -89.86 -46.66 8.4 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.063 0.545 . . . . 61.44 111.01 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 29.8 t -107.19 -7.62 16.74 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.901 0.704 . . . . 75.22 112.901 -168.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 67.85 -71.76 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 124.631 1.172 . . . . 73.33 109.934 -171.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -76.01 101.62 5.32 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.235 0.614 . . . . 74.3 109.349 172.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 41.2 t -80.75 125.74 30.43 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.519 0.728 . . . . 73.44 109.546 177.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.7 t -64.68 -32.05 73.54 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.232 1.013 . . . . 64.4 112.193 -172.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.646 ' HB2' ' SG ' ' A' ' 119' ' ' CYS . 72.4 m-85 -63.32 -44.17 95.7 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.931 0.492 . . . . 75.44 111.262 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 64.32 -112.07 4.69 Favored Glycine 0 C--N 1.346 1.124 0 N-CA-C 111.546 -0.622 . . . . 73.25 111.546 -172.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -80.44 -8.13 59.42 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.189 0.596 . . . . 75.51 111.712 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -76.56 -11.88 59.94 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.286 0.634 . . . . 71.32 111.442 174.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.646 ' SG ' ' HB2' ' A' ' 115' ' ' TYR . 63.9 m -72.62 131.35 42.32 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 123.004 0.521 . . . . 70.12 110.217 169.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -77.71 -31.51 52.35 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.235 -0.654 . . . . 75.42 109.235 168.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -79.74 159.63 26.53 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.998 0.919 . . . . 72.4 111.531 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.434 ' HB1' ' HB2' ' A' ' 127' ' ' GLU . . . -76.17 142.16 41.65 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.57 1.148 . . . . 53.11 112.049 -173.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -104.99 29.25 6.48 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.129 0.972 . . . . 75.41 109.796 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.43 148.95 9.78 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 115.568 -0.742 . . . . 64.42 111.566 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 67.3 t -66.42 -33.98 67.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 123.645 0.778 . . . . 64.03 110.547 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -65.65 -23.63 66.85 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.93 -0.577 . . . . 63.14 111.54 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.434 ' HB2' ' HB1' ' A' ' 122' ' ' ALA . 35.3 mt-10 -87.96 -10.39 50.65 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.685 0.794 . . . . 74.45 111.801 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.422 ' HA ' ' O ' ' A' ' 100' ' ' LYS . 62.2 mt -64.47 114.2 4.18 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.079 0.552 . . . . 43.41 111.238 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -92.64 138.37 31.56 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.223 1.009 . . . . 73.52 110.084 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 4.3 pp -84.55 155.53 62.38 Favored Pre-proline 0 CA--C 1.551 1.019 0 N-CA-C 109.087 -0.709 . . . . 71.15 109.087 169.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -57.68 99.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 122.604 2.203 . . . . 62.03 111.837 174.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 40.8 mtm -82.57 14.85 2.85 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.447 1.099 . . . . 61.42 111.604 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.04 160.89 43.98 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 125.083 1.353 . . . . 73.35 110.22 170.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -58.31 91.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.383 2.356 0 C-N-CA 122.319 2.013 . . . . 63.12 110.796 168.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -81.35 156.13 25.62 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 114.779 -1.101 . . . . 73.21 110.797 -167.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.43 89.76 0.14 Allowed Glycine 0 C--N 1.348 1.221 0 O-C-N 123.544 0.528 . . . . 73.31 112.439 176.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -99.33 118.58 36.3 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 108.795 -0.817 . . . . 75.04 108.795 174.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -81.44 167.97 18.82 Favored 'General case' 0 C--O 1.242 0.699 0 C-N-CA 123.021 0.528 . . . . 73.1 110.984 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -89.02 110.12 35.71 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 115.1 -0.955 . . . . 75.24 109.07 175.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -78.3 77.75 3.87 Favored 'Trans proline' 0 C--N 1.376 1.977 0 C-N-CA 122.686 2.257 . . . . 51.54 111.835 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -82.47 88.11 6.62 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.812 0.845 . . . . 74.43 109.164 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -78.49 -66.34 0.87 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 122.847 0.459 . . . . 65.54 110.514 -173.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.508 ' HB3' HG12 ' A' ' 165' ' ' ILE . 5.8 mptp? -77.39 85.58 3.79 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.02 -0.733 . . . . 64.12 109.02 172.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 2.1 t -103.34 -49.24 3.77 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.745 0.818 . . . . 74.13 111.549 -175.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' VAL . . . . . . . . . . . . . 51.4 t -105.06 148.96 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 C-N-CA 123.685 0.794 . . . . 70.34 109.039 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.35 155.08 38.35 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.179 0.592 . . . . 55.04 110.889 176.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 13.9 t -86.0 113.94 22.49 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.569 -0.9 . . . . 72.42 108.569 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -66.89 -46.6 74.41 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.485 0.714 . . . . 72.42 111.292 -173.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -62.26 -44.77 95.79 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.601 0.76 . . . . 63.14 111.022 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -70.66 -23.05 62.44 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 116.293 -0.412 . . . . 75.43 110.711 -175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 56.8 m -80.13 -50.21 10.62 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 122.692 0.397 . . . . 61.52 111.107 174.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 70.2 mtm -76.46 -51.27 12.1 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.262 0.625 . . . . 74.22 112.127 -170.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 59.8 p -97.03 -21.18 17.55 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 122.94 0.496 . . . . 73.41 110.855 -177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 89.09 1.79 78.74 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 116.174 -0.466 . . . . 72.3 112.596 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -133.43 129.59 37.51 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.927 0.891 . . . . 71.02 109.615 -173.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' CYS . . . . . . . . . . . . . 50.8 t -104.41 122.7 46.04 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.632 0.773 . . . . 74.25 110.132 177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -23.82 62.0 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.362 1.065 . . . . 72.33 112.656 -178.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -80.26 -40.75 26.34 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.103 0.561 . . . . 75.41 110.335 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 66.43 -102.86 0.79 Allowed Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.793 -0.64 . . . . 45.32 113.595 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . . 40.4 p -79.1 -22.79 44.72 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.883 0.873 . . . . 71.53 111.196 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -78.19 -12.38 59.99 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.546 0.738 . . . . 70.54 110.747 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 164' ' ' PHE . 35.1 t -73.34 118.55 16.42 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.583 0.753 . . . . 64.14 110.748 -176.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -86.33 3.03 45.17 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.646 0.778 . . . . 62.25 110.843 174.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' PHE . . . . . 0.454 ' HB2' ' SG ' ' A' ' 162' ' ' CYS . 81.3 m-85 -101.86 151.03 22.56 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.138 0.975 . . . . 62.43 111.519 -171.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.508 HG12 ' HB3' ' A' ' 143' ' ' LYS . 60.7 mt -67.15 112.79 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 124.847 1.259 . . . . 60.22 111.244 -176.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -87.36 95.65 10.08 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.328 0.651 . . . . 74.51 110.167 174.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -117.67 132.15 56.53 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.26 0.624 . . . . 74.45 109.756 172.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 64.5 mt -80.01 104.69 8.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.86 0.864 . . . . 63.15 109.483 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 47.7 t -73.55 115.49 14.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 123.67 0.788 . . . . 73.13 109.843 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -73.58 144.25 46.09 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.632 0.773 . . . . 70.42 111.192 -176.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 132.81 -78.08 0.37 Allowed Glycine 0 C--N 1.342 0.865 0 N-CA-C 110.394 -1.083 . . . . 55.33 110.394 178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -74.65 -34.18 62.67 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.433 0.693 . . . . 60.31 109.479 172.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 N-CA-C 108.567 -0.901 . . . . 50.41 108.567 169.387 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_